N-[(furan-2-yl)methyl]-2-({[4-(1-methoxypropan-2-yl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-2-({[4-(1-methoxypropan-2-yl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(furan-2-yl)methyl]-2-({[4-(1-methoxypropan-2-yl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V004-8668 |
| Compound Name: | N-[(furan-2-yl)methyl]-2-({[4-(1-methoxypropan-2-yl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 476.6 |
| Molecular Formula: | C26 H28 N4 O3 S |
| Salt: | not_available |
| Smiles: | CC(COC)n1c(c2ccc(C)cc2)nnc1SCc1ccccc1C(NCc1ccco1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4 |
| logD: | 5.3997 |
| logSw: | -5.3719 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.487 |
| InChI Key: | TYAAZLVIFOENAN-IBGZPJMESA-N |