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: | 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 |