5-chloro-N-(2,5-dimethoxyphenyl)-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(2,5-dimethoxyphenyl)-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
5-chloro-N-(2,5-dimethoxyphenyl)-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0153 |
| Compound Name: | 5-chloro-N-(2,5-dimethoxyphenyl)-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 365.84 |
| Molecular Formula: | C16 H16 Cl N3 O3 S |
| Smiles: | [H]N(C(c1c(cnc(n1)SCC=C)[Cl])=O)c1cc(ccc1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.8786 |
| logD: | 3.6559 |
| logSw: | -4.2631 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.391 |
| InChI Key: | VGEGBTWXBMRRBJ-UHFFFAOYSA-N |