5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(ethanesulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(ethanesulfonyl)pyrimidine-4-carboxamide
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(ethanesulfonyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D053-0111 |
| Compound Name: | 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(ethanesulfonyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 413.88 |
| Molecular Formula: | C17 H20 Cl N3 O5 S |
| Smiles: | [H]N(CCc1ccc(c(c1)OC)OC)C(c1c(cnc(n1)S(CC)(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.3625 |
| logD: | 1.3623 |
| logSw: | -2.8848 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.203 |
| InChI Key: | NXIFCAAKMFNDGK-UHFFFAOYSA-N |