3,3-dimethyl-11-(thiophen-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3,3-dimethyl-11-(thiophen-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3,3-dimethyl-11-(thiophen-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y600-1689 |
| Compound Name: | 3,3-dimethyl-11-(thiophen-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 324.44 |
| Molecular Formula: | C19 H20 N2 O S |
| Smiles: | CC1(C)CC2=C(C(c3ccsc3)Nc3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.891 |
| logD: | 3.8795 |
| logSw: | -4.0483 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 37.766 |
| InChI Key: | CBSQXZSOCQVUAD-SFHVURJKSA-N |