3-methyl-5-(oxan-4-yl)-1-{1-[4-(propan-2-yl)benzene-1-sulfonyl]pyrrolidin-3-yl}-1H-1,2,4-triazole
Chemical Structure Depiction of
3-methyl-5-(oxan-4-yl)-1-{1-[4-(propan-2-yl)benzene-1-sulfonyl]pyrrolidin-3-yl}-1H-1,2,4-triazole
3-methyl-5-(oxan-4-yl)-1-{1-[4-(propan-2-yl)benzene-1-sulfonyl]pyrrolidin-3-yl}-1H-1,2,4-triazole
Compound characteristics
Compound ID: | CM3565-0832 |
Compound Name: | 3-methyl-5-(oxan-4-yl)-1-{1-[4-(propan-2-yl)benzene-1-sulfonyl]pyrrolidin-3-yl}-1H-1,2,4-triazole |
Molecular Weight: | 418.56 |
Molecular Formula: | C21 H30 N4 O3 S |
Smiles: | CC(C)c1ccc(cc1)S(N1CCC(C1)n1c(C2CCOCC2)nc(C)n1)(=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.3449 |
logD: | 3.3433 |
logSw: | -3.3022 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 63.254 |
InChI Key: | PSXLTADTNSBKRJ-IBGZPJMESA-N |