4-butoxy-N-{[4-(2,5-dichlorophenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
4-butoxy-N-{[4-(2,5-dichlorophenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}benzamide
4-butoxy-N-{[4-(2,5-dichlorophenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | V014-5581 |
| Compound Name: | 4-butoxy-N-{[4-(2,5-dichlorophenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 559.49 |
| Molecular Formula: | C27 H25 Cl2 F N4 O2 S |
| Salt: | not_available |
| Smiles: | CCCCOc1ccc(cc1)C(NCc1nnc(n1c1cc(ccc1[Cl])[Cl])SCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4026 |
| logD: | 6.4026 |
| logSw: | -6.2983 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.49 |
| InChI Key: | YDMKINQJWHDDGT-UHFFFAOYSA-N |