4-({[4-(4-fluorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-({[4-(4-fluorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide
4-({[4-(4-fluorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V025-4503 |
| Compound Name: | 4-({[4-(4-fluorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide |
| Molecular Weight: | 514.58 |
| Molecular Formula: | C28 H23 F N4 O3 S |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)c1nnc(n1c1ccc(cc1)F)SCc1ccc(cc1)C(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4491 |
| logD: | 5.4491 |
| logSw: | -5.4532 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.418 |
| InChI Key: | TWTCTPCQUWAVMI-UHFFFAOYSA-N |