3-(3,4-dimethoxyphenyl)-11-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-11-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(3,4-dimethoxyphenyl)-11-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
Compound ID: | 3607-5699 |
Compound Name: | 3-(3,4-dimethoxyphenyl)-11-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
Molecular Weight: | 508.57 |
Molecular Formula: | C31 H28 N2 O5 |
Smiles: | Cc1ccc2c(c1)C(C(=CO2)C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)Nc2ccccc2N1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.9433 |
logD: | 4.8348 |
logSw: | -4.6082 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 72.631 |
InChI Key: | TVRHUWSWNHNJLE-UHFFFAOYSA-N |