rel-(5aR,9aS)-1-benzyl-7-[(3-methylthiophen-2-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aS)-1-benzyl-7-[(3-methylthiophen-2-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
rel-(5aR,9aS)-1-benzyl-7-[(3-methylthiophen-2-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Compound characteristics
| Compound ID: | SB16-0301 |
| Compound Name: | rel-(5aR,9aS)-1-benzyl-7-[(3-methylthiophen-2-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine |
| Molecular Weight: | 356.53 |
| Molecular Formula: | C21 H28 N2 O S |
| Smiles: | Cc1ccsc1CN1CC[C@@H]2[C@H](C1)COCCN2Cc1ccccc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4678 |
| logD: | 3.2721 |
| logSw: | -3.4831 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 16.5766 |
| InChI Key: | WCHAOVICLMNLFC-VQTJNVASSA-N |