ethyl 4-({5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carbonyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carbonyl}amino)benzoate
ethyl 4-({5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | D233-0156 |
| Compound Name: | ethyl 4-({5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carbonyl}amino)benzoate |
| Molecular Weight: | 377.85 |
| Molecular Formula: | C17 H16 Cl N3 O3 S |
| Smiles: | [H]N(C(c1c(cnc(n1)SCC=C)[Cl])=O)c1ccc(cc1)C(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 4.5983 |
| logD: | 4.5479 |
| logSw: | -4.6277 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.669 |
| InChI Key: | NSGZIFBIRBEBPG-UHFFFAOYSA-N |