methyl 4-[10-acetyl-3-(3,4-dimethoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Chemical Structure Depiction of
methyl 4-[10-acetyl-3-(3,4-dimethoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
methyl 4-[10-acetyl-3-(3,4-dimethoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Compound characteristics
| Compound ID: | 4780-0110 |
| Compound Name: | methyl 4-[10-acetyl-3-(3,4-dimethoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate |
| Molecular Weight: | 526.59 |
| Molecular Formula: | C31 H30 N2 O6 |
| Smiles: | CC(N1C(C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)Nc2ccccc12)c1ccc(cc1)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.804 |
| logD: | 4.4842 |
| logSw: | -4.6195 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.067 |
| InChI Key: | ZQACNVBXLYLHJI-UHFFFAOYSA-N |