Name: Name:4H-[1,2,4]Triazolo[4,3-a][1]benzazepine, 6-(4-chlorophenyl)-1-methyl-
Brand: Angene
SKU: AG00ABRU
Rating: 90 (10 reviews)

4H-[1,2,4]Triazolo[4,3-a][1]benzazepine, 6-(4-chlorophenyl)-1-methyl-

CAS No.:

1588522-03-5

Catalog Number:

AG00ABRU

Molecular Formula:

C18H14ClN3

Molecular Weight:

307.7769

Catalog Number:

AG00ABRU

Chemical Name:

4H-[1,2,4]Triazolo[4,3-a][1]benzazepine, 6-(4-chlorophenyl)-1-methyl-

CAS Number:

1588522-03-5

Molecular Formula:

C18H14ClN3

Molecular Weight:

307.7769

MDL Number:

MFCD30491835

IUPAC Name:

6-(4-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1]benzazepine

InChI:

InChI=1S/C18H14ClN3/c1-12-20-21-18-11-10-15(13-6-8-14(19)9-7-13)16-4-2-3-5-17(16)22(12)18/h2-10H,11H2,1H3

InChI Key:

YXBOMELQHURSQJ-UHFFFAOYSA-N

SMILES:

Clc1ccc(cc1)C1=CCc2n(c3c1cccc3)c(nn2)C

Complexity:

430

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

307.088g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

307.781g/mol

Monoisotopic Mass:

307.088g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

30.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1