4-methyl-6-phenoxy-2-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}pyrimidine
Chemical Structure Depiction of
4-methyl-6-phenoxy-2-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}pyrimidine
4-methyl-6-phenoxy-2-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}pyrimidine
Compound characteristics
| Compound ID: | D396-0030 |
| Compound Name: | 4-methyl-6-phenoxy-2-{3-[(2-phenoxyethyl)sulfanyl]-1H-1,2,4-triazol-1-yl}pyrimidine |
| Molecular Weight: | 405.48 |
| Molecular Formula: | C21 H19 N5 O2 S |
| Smiles: | Cc1cc(nc(n1)n1cnc(n1)SCCOc1ccccc1)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4362 |
| logD: | 4.436 |
| logSw: | -4.4575 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.999 |
| InChI Key: | CTRPAABWYVVSAI-UHFFFAOYSA-N |