4-methoxyphenyl 5-chloro-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxylate
Chemical Structure Depiction of
4-methoxyphenyl 5-chloro-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxylate
4-methoxyphenyl 5-chloro-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | D244-0053 |
| Compound Name: | 4-methoxyphenyl 5-chloro-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxylate |
| Molecular Weight: | 400.88 |
| Molecular Formula: | C20 H17 Cl N2 O3 S |
| Smiles: | Cc1ccccc1CSc1ncc(c(C(=O)Oc2ccc(cc2)OC)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.689 |
| logD: | 5.689 |
| logSw: | -5.8828 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.474 |
| InChI Key: | RAPBJORQPCBMMY-UHFFFAOYSA-N |