3-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-cyclopropylbenzamide
Chemical Structure Depiction of
3-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-cyclopropylbenzamide
3-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-cyclopropylbenzamide
Compound characteristics
| Compound ID: | V029-8479 |
| Compound Name: | 3-({[4-(3-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-cyclopropylbenzamide |
| Molecular Weight: | 461.97 |
| Molecular Formula: | C24 H20 Cl N5 O S |
| Salt: | not_available |
| Smiles: | C1CC1NC(c1cccc(CSc2nnc(c3ccncc3)n2c2cccc(c2)[Cl])c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2063 |
| logD: | 4.2063 |
| logSw: | -4.5627 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.61 |
| InChI Key: | GOOIYBBZNBSMLR-UHFFFAOYSA-N |