10-(4-fluorobenzoyl)-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-fluorobenzoyl)-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-fluorobenzoyl)-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: | J024-0400 |
| Compound Name: | 10-(4-fluorobenzoyl)-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: | 446.54 |
| Molecular Formula: | C26 H23 F N2 O2 S |
| Smiles: | CC1(C)CC2=C(C(c3cccs3)N(C(c3ccc(cc3)F)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1284 |
| logD: | 5.0833 |
| logSw: | -5.0029 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.183 |
| InChI Key: | TXLDGBORDSRBLL-DEOSSOPVSA-N |