2-{[(4-methylphenyl)methyl]sulfanyl}-N-(3-methylpyridin-2-yl)-5-(phenylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
2-{[(4-methylphenyl)methyl]sulfanyl}-N-(3-methylpyridin-2-yl)-5-(phenylsulfanyl)pyrimidine-4-carboxamide
2-{[(4-methylphenyl)methyl]sulfanyl}-N-(3-methylpyridin-2-yl)-5-(phenylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D390-0681 |
| Compound Name: | 2-{[(4-methylphenyl)methyl]sulfanyl}-N-(3-methylpyridin-2-yl)-5-(phenylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 458.6 |
| Molecular Formula: | C25 H22 N4 O S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCc1ccc(C)cc1)Sc1ccccc1)=O)c1c(C)cccn1 |
| Stereo: | ACHIRAL |
| logP: | 5.8876 |
| logD: | 5.8844 |
| logSw: | -5.2799 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.06 |
| InChI Key: | HIISTGJWZIJKCZ-UHFFFAOYSA-N |