ST012844 11-[(3E)-4-(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))-2-hydroxy-4-azabut- 3-enyl]-7,11-diazatricyclo[7.3.1.0]trideca-2,4-dien-6-one

Formula: C25H29N5O3

MW: 447.54

MDL: MFCD02063159

TNP:

LogP: 3

LogS: -5.06

Acceptors: 3

Donors: 1

Rotation Bonds: 4

Chiral Centers: 3

N+O: 8

LIPINSKY: 4

IUPAC: 11-[(3E)-4-(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))-2-hydroxy-4-azabut- 3-enyl]-7,11-diazatricyclo[7.3.1.0<2,7>]trideca-2,4-dien-6-one

Smiles: c1(c(n(c2ccccc2)n(c1C)C)=O)/N=C\C(CN1CC2c3cccc(n3CC(C1)C2)=O)O

Chemical Compounds - Natural Compounds