4-methyl-2-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(pyrrolidin-1-yl)pyrimidine
Chemical Structure Depiction of
4-methyl-2-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(pyrrolidin-1-yl)pyrimidine
4-methyl-2-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(pyrrolidin-1-yl)pyrimidine
Compound characteristics
| Compound ID: | D396-0049 |
| Compound Name: | 4-methyl-2-(3-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,2,4-triazol-1-yl)-6-(pyrrolidin-1-yl)pyrimidine |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C20 H24 N6 O S |
| Smiles: | Cc1ccc(cc1)OCCSc1ncn(c2nc(C)cc(n2)N2CCCC2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.5065 |
| logD: | 4.4357 |
| logSw: | -4.2682 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.633 |
| InChI Key: | YQNXLBLJPHCAIL-UHFFFAOYSA-N |