rel-(5aR,9aS)-1-benzyl-7-(2,5-dimethoxybenzene-1-sulfonyl)decahydropyrido[4,3-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aS)-1-benzyl-7-(2,5-dimethoxybenzene-1-sulfonyl)decahydropyrido[4,3-e][1,4]oxazepine
rel-(5aR,9aS)-1-benzyl-7-(2,5-dimethoxybenzene-1-sulfonyl)decahydropyrido[4,3-e][1,4]oxazepine
Compound characteristics
| Compound ID: | SB16-0334 |
| Compound Name: | rel-(5aR,9aS)-1-benzyl-7-(2,5-dimethoxybenzene-1-sulfonyl)decahydropyrido[4,3-e][1,4]oxazepine |
| Molecular Weight: | 446.56 |
| Molecular Formula: | C23 H30 N2 O5 S |
| Smiles: | COc1ccc(c(c1)S(N1CC[C@@H]2[C@H](C1)COCCN2Cc1ccccc1)(=O)=O)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7119 |
| logD: | 2.5238 |
| logSw: | -3.127 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.711 |
| InChI Key: | VWJRNWPBXPECFV-PZJWPPBQSA-N |