2-{[(2-chlorophenyl)methyl]sulfanyl}-5-[(4-methylphenyl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-5-[(4-methylphenyl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
2-{[(2-chlorophenyl)methyl]sulfanyl}-5-[(4-methylphenyl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D506-0366 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-[(4-methylphenyl)sulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide |
| Molecular Weight: | 499.07 |
| Molecular Formula: | C23 H19 Cl N4 O S3 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCc1ccccc1[Cl])Sc1ccc(C)cc1)=O)c1ncc(C)s1 |
| Stereo: | ACHIRAL |
| logP: | 7.6003 |
| logD: | 7.5242 |
| logSw: | -6.3127 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.94 |
| InChI Key: | XERCZZZETSDWFJ-UHFFFAOYSA-N |