2-{[5-(4-acetamidophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-propylacetamide
Chemical Structure Depiction of
2-{[5-(4-acetamidophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-propylacetamide
2-{[5-(4-acetamidophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-propylacetamide
Compound characteristics
| Compound ID: | D481-2654 |
| Compound Name: | 2-{[5-(4-acetamidophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-propylacetamide |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C21 H23 N5 O2 S |
| Smiles: | CCCNC(CSc1nnc(c2ccc(cc2)NC(C)=O)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6155 |
| logD: | 2.6155 |
| logSw: | -3.0488 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.559 |
| InChI Key: | KXHBTZPTSCLVQD-UHFFFAOYSA-N |