rel-(8aR,12aS)-1-[(2,3-dimethoxyphenyl)methyl]decahydro-1H-4,1,7-benzoxadiazecin-8(5H)-one
Chemical Structure Depiction of
rel-(8aR,12aS)-1-[(2,3-dimethoxyphenyl)methyl]decahydro-1H-4,1,7-benzoxadiazecin-8(5H)-one
rel-(8aR,12aS)-1-[(2,3-dimethoxyphenyl)methyl]decahydro-1H-4,1,7-benzoxadiazecin-8(5H)-one
Compound characteristics
| Compound ID: | S767-0153 |
| Compound Name: | rel-(8aR,12aS)-1-[(2,3-dimethoxyphenyl)methyl]decahydro-1H-4,1,7-benzoxadiazecin-8(5H)-one |
| Molecular Weight: | 362.47 |
| Molecular Formula: | C20 H30 N2 O4 |
| Smiles: | COc1cccc(CN2CCOCCNC([C@H]3CCCC[C@@H]23)=O)c1OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0077 |
| logD: | 1.0487 |
| logSw: | -2.639 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.014 |
| InChI Key: | PHXOSVCYNKAICX-SJORKVTESA-N |