11-{4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-{4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-{4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8018-1308 |
| Compound Name: | 11-{4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 503.04 |
| Molecular Formula: | C30 H31 Cl N2 O3 |
| Smiles: | CCOc1cc(ccc1OCc1ccccc1[Cl])C1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0028 |
| logD: | 5.9922 |
| logSw: | -6.1858 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.273 |
| InChI Key: | PGDRTHVVQXCMLD-LJAQVGFWSA-N |