10-[(4-fluorophenyl)acetyl]-3,3-dimethyl-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
10-[(4-fluorophenyl)acetyl]-3,3-dimethyl-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-[(4-fluorophenyl)acetyl]-3,3-dimethyl-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3046-8752 |
| Compound Name: | 10-[(4-fluorophenyl)acetyl]-3,3-dimethyl-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 460.57 |
| Molecular Formula: | C27 H25 F N2 O2 S |
| Smiles: | CC1(C)CC2=C(C(c3cccs3)N(C(Cc3ccc(cc3)F)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2473 |
| logD: | 5.0298 |
| logSw: | -5.0741 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.656 |
| InChI Key: | SOEJNSCNNDTEER-SANMLTNESA-N |