N-(butan-2-yl)-2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(butan-2-yl)-2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(butan-2-yl)-2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D580-0547 |
| Compound Name: | N-(butan-2-yl)-2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 429.53 |
| Molecular Formula: | C17 H24 F N5 O3 S2 |
| Smiles: | CCC(C)NC(CSc1nnc(CN(c2ccc(cc2)F)S(C)(=O)=O)n1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.128 |
| logD: | 1.128 |
| logSw: | -2.4347 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.801 |
| InChI Key: | WPUZLUFLPNGWFB-LBPRGKRZSA-N |