5-chloro-N-(2-methoxyphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(2-methoxyphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
5-chloro-N-(2-methoxyphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D244-0100 |
| Compound Name: | 5-chloro-N-(2-methoxyphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide |
| Molecular Weight: | 399.9 |
| Molecular Formula: | C20 H18 Cl N3 O2 S |
| Smiles: | [H]N(C(c1c(cnc(n1)SCc1cccc(C)c1)[Cl])=O)c1ccccc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.4195 |
| logD: | 5.39 |
| logSw: | -5.9127 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.576 |
| InChI Key: | TWULPNGHGLAJKY-UHFFFAOYSA-N |