7-benzoyl-11-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
7-benzoyl-11-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
7-benzoyl-11-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
Compound ID: | 3533-0120 |
Compound Name: | 7-benzoyl-11-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
Molecular Weight: | 454.53 |
Molecular Formula: | C28 H26 N2 O4 |
Smiles: | COc1ccc(cc1OC)C1C2=C(CCCC2=O)Nc2cc(ccc2N1)C(c1ccccc1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.7912 |
logD: | 4.7706 |
logSw: | -4.7195 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 65.476 |
InChI Key: | NBINDRAJLBIWMB-MHZLTWQESA-N |