10-(4-methylbenzoyl)-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-methylbenzoyl)-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-(4-methylbenzoyl)-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | J024-0426 |
| Compound Name: | 10-(4-methylbenzoyl)-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 450.99 |
| Molecular Formula: | C25 H22 N2 O2 S |
| Salt: | HCl |
| Smiles: | Cc1ccc(cc1)C(N1C(C2=C(CCCC2=O)Nc2ccccc12)c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9172 |
| logD: | 4.8983 |
| logSw: | -4.6127 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.183 |
| InChI Key: | LECCXYDJOWZLEC-DEOSSOPVSA-N |