3,3-dimethyl-11-(4-methylphenyl)-10-(thiophene-2-carbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3,3-dimethyl-11-(4-methylphenyl)-10-(thiophene-2-carbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3,3-dimethyl-11-(4-methylphenyl)-10-(thiophene-2-carbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | J024-0352 |
| Compound Name: | 3,3-dimethyl-11-(4-methylphenyl)-10-(thiophene-2-carbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 442.58 |
| Molecular Formula: | C27 H26 N2 O2 S |
| Smiles: | Cc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8955 |
| logD: | 5.8667 |
| logSw: | -5.5648 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.183 |
| InChI Key: | MTMYSPZMMJHIKN-VWLOTQADSA-N |