rel-(5aR,9aS)-7-(benzenesulfonyl)-1,4-dimethyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Chemical Structure Depiction of
rel-(5aR,9aS)-7-(benzenesulfonyl)-1,4-dimethyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
rel-(5aR,9aS)-7-(benzenesulfonyl)-1,4-dimethyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD14-0530 |
| Compound Name: | rel-(5aR,9aS)-7-(benzenesulfonyl)-1,4-dimethyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 351.42 |
| Molecular Formula: | C16 H21 N3 O4 S |
| Smiles: | CN1CC(N(C)[C@@H]2CCN(C[C@@H]2C1=O)S(c1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.2759 |
| logD: | -0.2759 |
| logSw: | -2.2985 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.331 |
| InChI Key: | KICXYTDKPVMEHW-ZIAGYGMSSA-N |