rel-(8aR,12aS)-1-(benzenesulfonyl)decahydro-1H-4,1,7-benzoxadiazecin-8(5H)-one
Chemical Structure Depiction of
rel-(8aR,12aS)-1-(benzenesulfonyl)decahydro-1H-4,1,7-benzoxadiazecin-8(5H)-one
rel-(8aR,12aS)-1-(benzenesulfonyl)decahydro-1H-4,1,7-benzoxadiazecin-8(5H)-one
Compound characteristics
| Compound ID: | S767-0242 |
| Compound Name: | rel-(8aR,12aS)-1-(benzenesulfonyl)decahydro-1H-4,1,7-benzoxadiazecin-8(5H)-one |
| Molecular Weight: | 352.45 |
| Molecular Formula: | C17 H24 N2 O4 S |
| Smiles: | C1CC[C@@H]2[C@H](C1)C(NCCOCCN2S(c1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4188 |
| logD: | 1.4188 |
| logSw: | -2.4142 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.256 |
| InChI Key: | NTOMOOOAYMMRLP-CVEARBPZSA-N |