N-methyl-4-({[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-propylbenzamide
Chemical Structure Depiction of
N-methyl-4-({[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-propylbenzamide
N-methyl-4-({[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-propylbenzamide
Compound characteristics
| Compound ID: | V003-6108 |
| Compound Name: | N-methyl-4-({[4-(3-methylphenyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-propylbenzamide |
| Molecular Weight: | 462.64 |
| Molecular Formula: | C25 H26 N4 O S2 |
| Salt: | not_available |
| Smiles: | CCCN(C)C(c1ccc(CSc2nnc(c3cccs3)n2c2cccc(C)c2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0291 |
| logD: | 5.0288 |
| logSw: | -4.6587 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.131 |
| InChI Key: | KRJQCCIIXHSBHR-UHFFFAOYSA-N |