rel-(8aR,12aS)-1-(2,5-dimethoxybenzene-1-sulfonyl)decahydro-1H-4,1,7-benzoxadiazecin-8(5H)-one
Chemical Structure Depiction of
rel-(8aR,12aS)-1-(2,5-dimethoxybenzene-1-sulfonyl)decahydro-1H-4,1,7-benzoxadiazecin-8(5H)-one
rel-(8aR,12aS)-1-(2,5-dimethoxybenzene-1-sulfonyl)decahydro-1H-4,1,7-benzoxadiazecin-8(5H)-one
Compound characteristics
| Compound ID: | S767-0250 |
| Compound Name: | rel-(8aR,12aS)-1-(2,5-dimethoxybenzene-1-sulfonyl)decahydro-1H-4,1,7-benzoxadiazecin-8(5H)-one |
| Molecular Weight: | 412.5 |
| Molecular Formula: | C19 H28 N2 O6 S |
| Smiles: | COc1ccc(c(c1)S(N1CCOCCNC([C@H]2CCCC[C@@H]12)=O)(=O)=O)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4564 |
| logD: | 1.4564 |
| logSw: | -2.4766 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.43 |
| InChI Key: | FBVNRSFEXPXRHN-CVEARBPZSA-N |