10-acetyl-11-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
10-acetyl-11-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-acetyl-11-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3046-8854 |
| Compound Name: | 10-acetyl-11-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 514.6 |
| Molecular Formula: | C31 H31 F N2 O4 |
| Smiles: | CC(N1C(C2=C(CC(C)(C)CC2=O)Nc2ccccc12)c1ccc(c(COc2ccc(cc2)F)c1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4328 |
| logD: | 5.203 |
| logSw: | -5.4316 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.762 |
| InChI Key: | CWVZIDPAWPDPDX-PMERELPUSA-N |