2-[3,3-dimethyl-1-oxo-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Chemical Structure Depiction of
2-[3,3-dimethyl-1-oxo-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
2-[3,3-dimethyl-1-oxo-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Compound characteristics
| Compound ID: | J024-0616 |
| Compound Name: | 2-[3,3-dimethyl-1-oxo-11-(thiophen-2-yl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C25 H26 N4 O3 S |
| Smiles: | Cc1cc(NC(CN2C(C3=C(CC(C)(C)CC3=O)Nc3ccccc23)c2cccs2)=O)no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8299 |
| logD: | 4.7906 |
| logSw: | -4.5629 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.543 |
| InChI Key: | ITKFVSKARJNSRS-DEOSSOPVSA-N |