2-{[4-(4-fluorophenyl)-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Chemical Structure Depiction of
2-{[4-(4-fluorophenyl)-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
2-{[4-(4-fluorophenyl)-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | A0062375 |
| Compound Name: | 2-{[4-(4-fluorophenyl)-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide |
| Molecular Weight: | 512.58 |
| Molecular Formula: | C23 H21 F N6 O3 S2 |
| Smiles: | COc1ccc(CC(NCc2nnc(n2c2ccc(cc2)F)SCC(Nc2nccs2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6565 |
| logD: | 2.6561 |
| logSw: | -3.086 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.332 |
| InChI Key: | GXIXWYAFSXLFNL-UHFFFAOYSA-N |