rel-(5aR,9aS)-1-(ethanesulfonyl)-7-[(5-methoxy-1-methyl-1H-indol-3-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aS)-1-(ethanesulfonyl)-7-[(5-methoxy-1-methyl-1H-indol-3-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
rel-(5aR,9aS)-1-(ethanesulfonyl)-7-[(5-methoxy-1-methyl-1H-indol-3-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Compound characteristics
| Compound ID: | SB16-0898 |
| Compound Name: | rel-(5aR,9aS)-1-(ethanesulfonyl)-7-[(5-methoxy-1-methyl-1H-indol-3-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine |
| Molecular Weight: | 421.56 |
| Molecular Formula: | C21 H31 N3 O4 S |
| Smiles: | CCS(N1CCOC[C@H]2CN(CC[C@@H]12)Cc1cn(C)c2ccc(cc12)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8 |
| logD: | -0.7512 |
| logSw: | -2.579 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.417 |
| InChI Key: | ZJSNSHQDHIBEBM-PXNSSMCTSA-N |