rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]-8-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]-8-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]-8-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
Compound characteristics
| Compound ID: | S232-1955 |
| Compound Name: | rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]-8-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine |
| Molecular Weight: | 419.54 |
| Molecular Formula: | C20 H29 N5 O3 S |
| Smiles: | Cc1c(c(C)n(C)n1)S(N1CC[C@@H]2COCCN(Cc3cccnc3)[C@@H]2C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.2295 |
| logD: | -0.2302 |
| logSw: | -1.2495 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.894 |
| InChI Key: | IFRQDEKXBZPMLZ-MOPGFXCFSA-N |