5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(propylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(propylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(propylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0416 |
| Compound Name: | 5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(propylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 395.91 |
| Molecular Formula: | C18 H22 Cl N3 O3 S |
| Smiles: | [H]N(CCc1ccc(c(c1)OC)OC)C(c1c(cnc(n1)SCCC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.113 |
| logD: | 3.113 |
| logSw: | -3.441 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.34 |
| InChI Key: | BNBBLBLLYXFXSQ-UHFFFAOYSA-N |