rel-(5aR,9aS)-7-(benzenesulfonyl)-4-benzyl-1-methyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Chemical Structure Depiction of
rel-(5aR,9aS)-7-(benzenesulfonyl)-4-benzyl-1-methyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
rel-(5aR,9aS)-7-(benzenesulfonyl)-4-benzyl-1-methyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD14-0758 |
| Compound Name: | rel-(5aR,9aS)-7-(benzenesulfonyl)-4-benzyl-1-methyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C22 H25 N3 O4 S |
| Smiles: | CN1C(CN(Cc2ccccc2)C([C@H]2CN(CC[C@@H]12)S(c1ccccc1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.162 |
| logD: | 1.162 |
| logSw: | -2.6153 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.345 |
| InChI Key: | NUZJSJDCVKAOHH-WOJBJXKFSA-N |