Name: Name:(4-(5-chlorobenzo[d]oxazol-2-yl)-7-Methyl-1,4-diazepan-1-yl)(5-Methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)Methanone
Brand: Angene
SKU: AG009C4S
Rating: 90 (10 reviews)

(4-(5-chlorobenzo[d]oxazol-2-yl)-7-Methyl-1,4-diazepan-1-yl)(5-Methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)Methanone

CAS No.:

1352834-55-9

Catalog Number:

AG009C4S

Molecular Formula:

C23H23ClN6O2

Molecular Weight:

450.9207

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Product Description

Catalog Number:

AG009C4S

Chemical Name:

(4-(5-chlorobenzo[d]oxazol-2-yl)-7-Methyl-1,4-diazepan-1-yl)(5-Methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)Methanone

CAS Number:

1352834-55-9

Molecular Formula:

C23H23ClN6O2

Molecular Weight:

450.9207

MDL Number:

MFCD22124912

IUPAC Name:

[4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

InChI:

InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3

InChI Key:

JYTNQNCOQXFQPK-UHFFFAOYSA-N

SMILES:

Cc1ccc(c(c1)C(=O)N1CCN(CCC1C)c1oc2c(n1)cc(cc2)Cl)n1nccn1

Properties

Complexity:

664

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

450.157g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

450.927g/mol

Monoisotopic Mass:

450.157g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.9

Literature

Title	Journal
New class of sleep drugs may offer a safer night's rest.	Nature medicine 20120706
Reaction development and mechanistic study of a ruthenium catalyzed intramolecular asymmetric reductive amination en route to the dual Orexin inhibitor Suvorexant (MK-4305).	Journal of the American Chemical Society 20110601
Promotion of sleep by suvorexant-a novel dual orexin receptor antagonist.	Journal of neurogenetics 20110301