rel-(5aR,9aR)-1-benzyl-8-(2,5-dimethoxybenzene-1-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aR)-1-benzyl-8-(2,5-dimethoxybenzene-1-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
rel-(5aR,9aR)-1-benzyl-8-(2,5-dimethoxybenzene-1-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
Compound characteristics
| Compound ID: | S232-1810 |
| Compound Name: | rel-(5aR,9aR)-1-benzyl-8-(2,5-dimethoxybenzene-1-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine |
| Molecular Weight: | 446.56 |
| Molecular Formula: | C23 H30 N2 O5 S |
| Smiles: | COc1ccc(c(c1)S(N1CC[C@@H]2COCCN(Cc3ccccc3)[C@@H]2C1)(=O)=O)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7946 |
| logD: | 2.7915 |
| logSw: | -3.2216 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.711 |
| InChI Key: | KHGWWMPBAZJMDF-CTNGQTDRSA-N |