N-[(furan-2-yl)methyl]-4-({[5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-4-({[5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(furan-2-yl)methyl]-4-({[5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V015-5062 |
| Compound Name: | N-[(furan-2-yl)methyl]-4-({[5-methyl-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 418.52 |
| Molecular Formula: | C23 H22 N4 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccccc1n1c(C)nnc1SCc1ccc(cc1)C(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5698 |
| logD: | 3.5696 |
| logSw: | -3.821 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.622 |
| InChI Key: | MPTLAQWQWZZGSG-UHFFFAOYSA-N |