rel-(9aR,12aS)-1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0264 |
| Compound Name: | rel-(9aR,12aS)-1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C20 H28 N2 O5 S |
| Smiles: | C1CCCN([C@H]2CCC[C@H]2C(NCC1)=O)S(c1ccc2c(c1)OCCO2)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4835 |
| logD: | 1.4835 |
| logSw: | -2.5591 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.537 |
| InChI Key: | RLVSWIGECINZFP-SJORKVTESA-N |