rel-(8aR,12aS)-1-(2,3-dihydro-1H-indene-5-sulfonyl)decahydro-1H-4,1,7-benzoxadiazecin-8(5H)-one
Chemical Structure Depiction of
rel-(8aR,12aS)-1-(2,3-dihydro-1H-indene-5-sulfonyl)decahydro-1H-4,1,7-benzoxadiazecin-8(5H)-one
rel-(8aR,12aS)-1-(2,3-dihydro-1H-indene-5-sulfonyl)decahydro-1H-4,1,7-benzoxadiazecin-8(5H)-one
Compound characteristics
| Compound ID: | S767-0260 |
| Compound Name: | rel-(8aR,12aS)-1-(2,3-dihydro-1H-indene-5-sulfonyl)decahydro-1H-4,1,7-benzoxadiazecin-8(5H)-one |
| Molecular Weight: | 392.52 |
| Molecular Formula: | C20 H28 N2 O4 S |
| Smiles: | C1Cc2ccc(cc2C1)S(N1CCOCCNC([C@H]2CCCC[C@@H]12)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5436 |
| logD: | 2.5436 |
| logSw: | -3.0267 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.543 |
| InChI Key: | UDZFMLNJEXSWJQ-MOPGFXCFSA-N |