rel-(5aR,9aR)-1-benzyl-8-(1-methyl-1H-imidazole-4-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aR)-1-benzyl-8-(1-methyl-1H-imidazole-4-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
rel-(5aR,9aR)-1-benzyl-8-(1-methyl-1H-imidazole-4-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
Compound characteristics
| Compound ID: | S232-1808 |
| Compound Name: | rel-(5aR,9aR)-1-benzyl-8-(1-methyl-1H-imidazole-4-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine |
| Molecular Weight: | 390.5 |
| Molecular Formula: | C19 H26 N4 O3 S |
| Smiles: | Cn1cc(nc1)S(N1CC[C@@H]2COCCN(Cc3ccccc3)[C@@H]2C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0896 |
| logD: | 1.0868 |
| logSw: | -2.1488 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.948 |
| InChI Key: | JSRIZEJZLTWWOA-MSOLQXFVSA-N |