rel-(9aR,12aS)-1-(3-fluorobenzene-1-sulfonyl)-8-methyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-(3-fluorobenzene-1-sulfonyl)-8-methyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-(3-fluorobenzene-1-sulfonyl)-8-methyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0531 |
| Compound Name: | rel-(9aR,12aS)-1-(3-fluorobenzene-1-sulfonyl)-8-methyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 382.5 |
| Molecular Formula: | C19 H27 F N2 O3 S |
| Smiles: | CN1CCCCCCN([C@H]2CCC[C@H]2C1=O)S(c1cccc(c1)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6923 |
| logD: | 2.6923 |
| logSw: | -3.0306 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.046 |
| InChI Key: | XTBXTVURZYUHKV-MSOLQXFVSA-N |