Name: Name:N-[5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl]-2-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino}acetamide
Brand: Angene
SKU: AG01C22N
Rating: 90 (10 reviews)

N-[5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl]-2-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino}acetamide

CAS No.:

940859-53-0

Catalog Number:

AG01C22N

Molecular Formula:

C22H24ClN5O3

Molecular Weight:

441.9107

Catalog Number:

AG01C22N

Chemical Name:

N-[5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl]-2-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino}acetamide

CAS Number:

940859-53-0

Molecular Formula:

C22H24ClN5O3

Molecular Weight:

441.9107

MDL Number:

MFCD09368268

IUPAC Name:

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]acetamide

InChI:

InChI=1S/C22H24ClN5O3/c1-14(2)22(15-3-6-19-20(9-15)31-8-7-30-19)25-11-21(29)27-17-10-16(23)4-5-18(17)28-13-24-12-26-28/h3-6,9-10,12-14,22,25H,7-8,11H2,1-2H3,(H,27,29)

InChI Key:

QIMLBAXRNPUCGI-UHFFFAOYSA-N

SMILES:

O=C(Nc1cc(Cl)ccc1n1cncn1)CNC(c1ccc2c(c1)OCCO2)C(C)C

Complexity:

598

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

441.157g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

441.916g/mol

Monoisotopic Mass:

441.157g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

90.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6