rel-(8aR,12aS)-1-[(5-methylthiophen-2-yl)methyl]decahydro-1H-4,1,7-benzoxadiazecin-8(5H)-one
Chemical Structure Depiction of
rel-(8aR,12aS)-1-[(5-methylthiophen-2-yl)methyl]decahydro-1H-4,1,7-benzoxadiazecin-8(5H)-one
rel-(8aR,12aS)-1-[(5-methylthiophen-2-yl)methyl]decahydro-1H-4,1,7-benzoxadiazecin-8(5H)-one
Compound characteristics
| Compound ID: | S767-0156 |
| Compound Name: | rel-(8aR,12aS)-1-[(5-methylthiophen-2-yl)methyl]decahydro-1H-4,1,7-benzoxadiazecin-8(5H)-one |
| Molecular Weight: | 322.47 |
| Molecular Formula: | C17 H26 N2 O2 S |
| Smiles: | Cc1ccc(CN2CCOCCNC([C@H]3CCCC[C@@H]23)=O)s1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3545 |
| logD: | 1.8955 |
| logSw: | -2.9811 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.685 |
| InChI Key: | KTWZKKYQAZCQMW-CVEARBPZSA-N |