3-({[5-(furan-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Chemical Structure Depiction of
3-({[5-(furan-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
3-({[5-(furan-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Compound characteristics
| Compound ID: | V030-1346 |
| Compound Name: | 3-({[5-(furan-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C25 H26 N4 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)CNC(c1cccc(CSc2nnc(c3ccco3)n2c2ccc(cc2)OC)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4181 |
| logD: | 4.4181 |
| logSw: | -4.3502 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.52 |
| InChI Key: | ZKEFBTITAPPKQC-UHFFFAOYSA-N |