methyl 2-({5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 2-({5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carbonyl}amino)benzoate
methyl 2-({5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | D233-0143 |
| Compound Name: | methyl 2-({5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carbonyl}amino)benzoate |
| Molecular Weight: | 363.82 |
| Molecular Formula: | C16 H14 Cl N3 O3 S |
| Smiles: | [H]N(C(c1c(cnc(n1)SCC=C)[Cl])=O)c1ccccc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.9197 |
| logD: | 2.5908 |
| logSw: | -4.2549 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.391 |
| InChI Key: | UYNVWCZIFJYEIE-UHFFFAOYSA-N |