AC1MGUKN

4-[9-(3,4-dimethoxyphenyl)-7-oxo-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid

Also Known As: AJ-292/41694798|A3142/0132857|4-(3-(3,4-dimethoxyphenyl)-1-oxo-11-(pyridin-3-yl)-3,4-dihydro-1H-dibenzo[b,e][1,4]diazepin-10(2H,5H,11H)-yl)-4-oxobutanoic acid|4-[3-(3,4-dimethoxyphenyl)-1-oxo-11-(3-pyridinyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid|4-[3-(3,4-dimethoxyphenyl)-1-oxo-11-(3-pyridyl)(2,3,4-trihydro-5H,11H-benzo[b] benzo[2,1-f]1,4-diazepin-10-yl)]-4-oxobutanoic acid|4-[3-(3,4-dimethoxyphenyl)-1-oxo-11-(3-pyridyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid|4-[3-(3,4-dimethoxyphenyl)-1-oxo-11-(pyridin-3-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid|4-[9-(3,4-dimethoxyphenyl)-7-oxo-6-pyridin-3-yl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-5-yl]-4-oxobutanoic acid

Molecular Formula	C30H29N3O6
Molecular Weight	527.2056 g/mol
LogP	4.8642
Topological Polar Surface Area	118.06 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	527.2056
Monoisotopic Mass	527.2056
Heavy Atoms	39
Complexity	1452.0615

Chemical Identifiers

CAS Number	523992-75-8
SMILES	COC1=C(C=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)CCC(=O)O)C5=CN=CC=C5)C(=O)C2)OC