N-[(furan-2-yl)methyl]-4-({[4-(4-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-4-({[4-(4-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(furan-2-yl)methyl]-4-({[4-(4-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V027-3911 |
| Compound Name: | N-[(furan-2-yl)methyl]-4-({[4-(4-methylphenyl)-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C25 H26 N4 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)c1nnc(n1c1ccc(C)cc1)SCc1ccc(cc1)C(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9434 |
| logD: | 4.9432 |
| logSw: | -4.5152 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.146 |
| InChI Key: | DPNRCNTVEMKGPK-UHFFFAOYSA-N |