N-(2-methoxy-4-nitrophenyl)-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-methoxy-4-nitrophenyl)-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-methoxy-4-nitrophenyl)-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: | E002-1864 |
| Compound Name: | N-(2-methoxy-4-nitrophenyl)-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: | 492.55 |
| Molecular Formula: | C25 H24 N4 O5 S |
| Smiles: | COc1cc(ccc1NC(N1CC(Nc2c(C1c1ccccc1)c1CCCCc1s2)=O)=O)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4758 |
| logD: | 5.4753 |
| logSw: | -5.3114 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.984 |
| InChI Key: | RFIOJUMLNMRPDN-HSZRJFAPSA-N |