5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(ethylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(ethylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(ethylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0115 |
| Compound Name: | 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(ethylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 381.88 |
| Molecular Formula: | C17 H20 Cl N3 O3 S |
| Smiles: | [H]N(CCc1ccc(c(c1)OC)OC)C(c1c(cnc(n1)SCC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7798 |
| logD: | 2.7798 |
| logSw: | -3.4514 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.34 |
| InChI Key: | FSHYADXBRPVSKO-UHFFFAOYSA-N |