N-(3-acetylphenyl)-2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(3-acetylphenyl)-2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D532-0223 |
| Compound Name: | N-(3-acetylphenyl)-2-[(5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 491.56 |
| Molecular Formula: | C21 H22 F N5 O4 S2 |
| Smiles: | CC(c1cccc(c1)NC(CSc1nnc(CN(c2ccc(cc2)F)S(C)(=O)=O)n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7217 |
| logD: | 1.7216 |
| logSw: | -2.7252 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.592 |
| InChI Key: | SMDLIEBVJQSOSD-UHFFFAOYSA-N |