N-[(furan-2-yl)methyl]-2-({[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-2-({[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(furan-2-yl)methyl]-2-({[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V029-8182 |
| Compound Name: | N-[(furan-2-yl)methyl]-2-({[5-methyl-4-(3-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: | Cc1cccc(c1)n1c(C)nnc1SCc1ccccc1C(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.485 |
| logD: | 4.4848 |
| logSw: | -4.3196 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.923 |
| InChI Key: | OHOLSPQDQMWUAZ-UHFFFAOYSA-N |