2-{[5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
2-{[5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D532-0421 |
| Compound Name: | 2-{[5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 399.46 |
| Molecular Formula: | C15 H18 F N5 O3 S2 |
| Smiles: | CS(N(Cc1nnc(n1CC=C)SCC(N)=O)c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.646 |
| logD: | 0.646 |
| logSw: | -2.1006 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.444 |
| InChI Key: | KFGARQAIECBWAV-UHFFFAOYSA-N |