rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]-8-(quinoline-8-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]-8-(quinoline-8-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]-8-(quinoline-8-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
Compound characteristics
| Compound ID: | S232-1951 |
| Compound Name: | rel-(5aR,9aR)-1-[(pyridin-3-yl)methyl]-8-(quinoline-8-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine |
| Molecular Weight: | 438.55 |
| Molecular Formula: | C23 H26 N4 O3 S |
| Smiles: | C1CN(C[C@@H]2[C@H]1COCCN2Cc1cccnc1)S(c1cccc2cccnc12)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3853 |
| logD: | 1.3845 |
| logSw: | -1.8263 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.588 |
| InChI Key: | VBWBASCZAGCYFK-RTWAWAEBSA-N |