5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0095 |
| Compound Name: | 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide |
| Molecular Weight: | 457.98 |
| Molecular Formula: | C23 H24 Cl N3 O3 S |
| Smiles: | [H]N(CCc1ccc(c(c1)OC)OC)C(c1c(cnc(n1)SCc1ccc(C)cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0093 |
| logD: | 4.0093 |
| logSw: | -4.3589 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.068 |
| InChI Key: | HQFVAIJLPYAHAA-UHFFFAOYSA-N |