methyl 4-(10-acetyl-3,3-dimethyl-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-dimethyl-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-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate
Compound characteristics
| Compound ID: | 5236-0382 |
| Compound Name: | methyl 4-(10-acetyl-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate |
| Molecular Weight: | 418.49 |
| Molecular Formula: | C25 H26 N2 O4 |
| Smiles: | CC(N1C(C2=C(CC(C)(C)CC2=O)Nc2ccccc12)c1ccc(cc1)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1107 |
| logD: | 3.8809 |
| logSw: | -4.383 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.078 |
| InChI Key: | VPIIYIJSESGCSN-QHCPKHFHSA-N |