11-(2-methoxyphenyl)-3,3-dimethyl-10-(thiophene-2-carbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(2-methoxyphenyl)-3,3-dimethyl-10-(thiophene-2-carbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(2-methoxyphenyl)-3,3-dimethyl-10-(thiophene-2-carbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | J024-0371 |
| Compound Name: | 11-(2-methoxyphenyl)-3,3-dimethyl-10-(thiophene-2-carbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C27 H26 N2 O3 S |
| Smiles: | CC1(C)CC2=C(C(c3ccccc3OC)N(C(c3cccs3)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6036 |
| logD: | 5.5748 |
| logSw: | -5.4623 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.813 |
| InChI Key: | ROMWCOBCZJIKGK-VWLOTQADSA-N |