rel-(5aR,9aR)-8-(2,5-dimethoxybenzene-1-sulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[3,4-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aR)-8-(2,5-dimethoxybenzene-1-sulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[3,4-e][1,4]oxazepine
rel-(5aR,9aR)-8-(2,5-dimethoxybenzene-1-sulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[3,4-e][1,4]oxazepine
Compound characteristics
| Compound ID: | S232-1948 |
| Compound Name: | rel-(5aR,9aR)-8-(2,5-dimethoxybenzene-1-sulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[3,4-e][1,4]oxazepine |
| Molecular Weight: | 447.55 |
| Molecular Formula: | C22 H29 N3 O5 S |
| Smiles: | COc1ccc(c(c1)S(N1CC[C@@H]2COCCN(Cc3cccnc3)[C@@H]2C1)(=O)=O)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4815 |
| logD: | 1.4807 |
| logSw: | -1.7535 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.229 |
| InChI Key: | DVSVFIZDZWNMPY-QUCCMNQESA-N |