5-chloro-N-(2,5-dimethoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(2,5-dimethoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
5-chloro-N-(2,5-dimethoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0091 |
| Compound Name: | 5-chloro-N-(2,5-dimethoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide |
| Molecular Weight: | 429.92 |
| Molecular Formula: | C21 H20 Cl N3 O3 S |
| Smiles: | [H]N(C(c1c(cnc(n1)SCc1ccc(C)cc1)[Cl])=O)c1cc(ccc1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.8491 |
| logD: | 4.6264 |
| logSw: | -4.9562 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.12 |
| InChI Key: | CJZMPURLCAVLCW-UHFFFAOYSA-N |