rel-(5aR,9aR)-1,4-dimethyl-8-(1-methyl-1H-imidazole-4-sulfonyl)octahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
Chemical Structure Depiction of
rel-(5aR,9aR)-1,4-dimethyl-8-(1-methyl-1H-imidazole-4-sulfonyl)octahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
rel-(5aR,9aR)-1,4-dimethyl-8-(1-methyl-1H-imidazole-4-sulfonyl)octahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD15-0404 |
| Compound Name: | rel-(5aR,9aR)-1,4-dimethyl-8-(1-methyl-1H-imidazole-4-sulfonyl)octahydro-1H-pyrido[3,4-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 355.41 |
| Molecular Formula: | C14 H21 N5 O4 S |
| Smiles: | CN1CC(N(C)[C@@H]2CN(CC[C@@H]2C1=O)S(c1cn(C)cn1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -1.9139 |
| logD: | -1.9139 |
| logSw: | -1.7675 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.743 |
| InChI Key: | ILXAHKIFTHEDLP-QWRGUYRKSA-N |