3-({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide
Chemical Structure Depiction of
3-({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide
3-({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide
Compound characteristics
| Compound ID: | V027-9758 |
| Compound Name: | 3-({[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-methyl-N-propylbenzamide |
| Molecular Weight: | 408.56 |
| Molecular Formula: | C23 H28 N4 O S |
| Salt: | not_available |
| Smiles: | CCCN(C)C(c1cccc(CSc2nnc(c3ccc(C)cc3)n2CC)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5141 |
| logD: | 4.5141 |
| logSw: | -4.2437 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.366 |
| InChI Key: | NQYGVAMLRKSJFA-UHFFFAOYSA-N |