N-(2,5-dimethylphenyl)-2-oxo-5-phenyl-1,2,3,5,6,7,8,9-octahydro-4H-[1]benzothieno[2,3-e][1,4]diazepine-4-carboxamide
Chemical Structure Depiction of
N-(2,5-dimethylphenyl)-2-oxo-5-phenyl-1,2,3,5,6,7,8,9-octahydro-4H-[1]benzothieno[2,3-e][1,4]diazepine-4-carboxamide
N-(2,5-dimethylphenyl)-2-oxo-5-phenyl-1,2,3,5,6,7,8,9-octahydro-4H-[1]benzothieno[2,3-e][1,4]diazepine-4-carboxamide
Compound characteristics
| Compound ID: | E002-1862 |
| Compound Name: | N-(2,5-dimethylphenyl)-2-oxo-5-phenyl-1,2,3,5,6,7,8,9-octahydro-4H-[1]benzothieno[2,3-e][1,4]diazepine-4-carboxamide |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C26 H27 N3 O2 S |
| Smiles: | Cc1ccc(C)c(c1)NC(N1CC(Nc2c(C1c1ccccc1)c1CCCCc1s2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7015 |
| logD: | 5.7012 |
| logSw: | -5.294 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.972 |
| InChI Key: | AZCBREDVGCRKQI-XMMPIXPASA-N |