4-methyl-2-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-phenoxypyrimidine
Chemical Structure Depiction of
4-methyl-2-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-phenoxypyrimidine
4-methyl-2-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-phenoxypyrimidine
Compound characteristics
| Compound ID: | D396-0024 |
| Compound Name: | 4-methyl-2-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-phenoxypyrimidine |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C22 H21 N5 O2 S |
| Smiles: | Cc1ccc(cc1)OCCSc1ncn(c2nc(C)cc(n2)Oc2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.8881 |
| logD: | 4.8879 |
| logSw: | -4.7606 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.999 |
| InChI Key: | DAOMKALQMXFNIC-UHFFFAOYSA-N |