4-({[4-(4-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3-methylphenyl)benzamide
Chemical Structure Depiction of
4-({[4-(4-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3-methylphenyl)benzamide
4-({[4-(4-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3-methylphenyl)benzamide
Compound characteristics
| Compound ID: | V001-0208 |
| Compound Name: | 4-({[4-(4-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-(3-methylphenyl)benzamide |
| Molecular Weight: | 507.61 |
| Molecular Formula: | C29 H25 N5 O2 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)NC(c1ccc(CSc2nnc(c3ccncc3)n2c2ccc(cc2)OC)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0364 |
| logD: | 5.0363 |
| logSw: | -4.5613 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.776 |
| InChI Key: | XDTBNPPTUHQTCE-UHFFFAOYSA-N |