5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(phenylmethanesulfonyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(phenylmethanesulfonyl)pyrimidine-4-carboxamide
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(phenylmethanesulfonyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0510 |
| Compound Name: | 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(phenylmethanesulfonyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 475.95 |
| Molecular Formula: | C22 H22 Cl N3 O5 S |
| Smiles: | [H]N(CCc1ccc(c(c1)OC)OC)C(c1c(cnc(n1)S(Cc1ccccc1)(=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3955 |
| logD: | 2.3953 |
| logSw: | -3.2012 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.932 |
| InChI Key: | HYQGOCVJWGVGRR-UHFFFAOYSA-N |