rel-(5aR,9aR)-8-(1-methyl-1H-imidazole-4-sulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[3,4-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aR)-8-(1-methyl-1H-imidazole-4-sulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[3,4-e][1,4]oxazepine
rel-(5aR,9aR)-8-(1-methyl-1H-imidazole-4-sulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[3,4-e][1,4]oxazepine
Compound characteristics
| Compound ID: | S232-1946 |
| Compound Name: | rel-(5aR,9aR)-8-(1-methyl-1H-imidazole-4-sulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[3,4-e][1,4]oxazepine |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C18 H25 N5 O3 S |
| Smiles: | Cn1cc(nc1)S(N1CC[C@@H]2COCCN(Cc3cccnc3)[C@@H]2C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.2235 |
| logD: | -0.2242 |
| logSw: | -1.3056 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.466 |
| InChI Key: | ZOXSSUCRLQTCDQ-SJORKVTESA-N |