N-{[5-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-N-(4-fluorophenyl)methanesulfonamide
Chemical Structure Depiction of
N-{[5-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-N-(4-fluorophenyl)methanesulfonamide
N-{[5-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-N-(4-fluorophenyl)methanesulfonamide
Compound characteristics
Compound ID: | D532-0445 |
Compound Name: | N-{[5-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]methyl}-N-(4-fluorophenyl)methanesulfonamide |
Molecular Weight: | 495.64 |
Molecular Formula: | C22 H30 F N5 O3 S2 |
Smiles: | CC1CC(C)CN(C1)C(CSc1nnc(CN(c2ccc(cc2)F)S(C)(=O)=O)n1CC=C)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.9852 |
logD: | 2.9852 |
logSw: | -3.3885 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 73.044 |
InChI Key: | LSOFEFTWRUJROZ-UHFFFAOYSA-N |