rel-(5aR,9aS)-1-benzyl-7-{[3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}decahydropyrido[4,3-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aS)-1-benzyl-7-{[3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}decahydropyrido[4,3-e][1,4]oxazepine
rel-(5aR,9aS)-1-benzyl-7-{[3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}decahydropyrido[4,3-e][1,4]oxazepine
Compound characteristics
| Compound ID: | SB16-0354 |
| Compound Name: | rel-(5aR,9aS)-1-benzyl-7-{[3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}decahydropyrido[4,3-e][1,4]oxazepine |
| Molecular Weight: | 432.57 |
| Molecular Formula: | C26 H32 N4 O2 |
| Smiles: | COc1cccc(c1)c1c(CN2CC[C@@H]3[C@H](C2)COCCN3Cc2ccccc2)c[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.4604 |
| logD: | 1.7807 |
| logSw: | -3.6417 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.292 |
| InChI Key: | WAZAEBMUTAMUCF-UKILVPOCSA-N |