rel-(5aR,9aS)-1-(ethanesulfonyl)-7-[(1H-indol-6-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aS)-1-(ethanesulfonyl)-7-[(1H-indol-6-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
rel-(5aR,9aS)-1-(ethanesulfonyl)-7-[(1H-indol-6-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Compound characteristics
| Compound ID: | SB16-0951 |
| Compound Name: | rel-(5aR,9aS)-1-(ethanesulfonyl)-7-[(1H-indol-6-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine |
| Molecular Weight: | 377.5 |
| Molecular Formula: | C19 H27 N3 O3 S |
| Smiles: | CCS(N1CCOC[C@H]2CN(CC[C@@H]12)Cc1ccc2cc[nH]c2c1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.6585 |
| logD: | 1.1964 |
| logSw: | -2.716 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.095 |
| InChI Key: | NJNFEZGTIPJYSX-HKUYNNGSSA-N |