2-{[(4-methylphenyl)methyl]sulfanyl}-5-(phenylsulfanyl)-N-(pyridin-4-yl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
2-{[(4-methylphenyl)methyl]sulfanyl}-5-(phenylsulfanyl)-N-(pyridin-4-yl)pyrimidine-4-carboxamide
2-{[(4-methylphenyl)methyl]sulfanyl}-5-(phenylsulfanyl)-N-(pyridin-4-yl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D390-0675 |
| Compound Name: | 2-{[(4-methylphenyl)methyl]sulfanyl}-5-(phenylsulfanyl)-N-(pyridin-4-yl)pyrimidine-4-carboxamide |
| Molecular Weight: | 444.58 |
| Molecular Formula: | C24 H20 N4 O S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCc1ccc(C)cc1)Sc1ccccc1)=O)c1ccncc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1105 |
| logD: | 5.1089 |
| logSw: | -4.5876 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.8 |
| InChI Key: | CTMCIJPKZPYGBQ-UHFFFAOYSA-N |