ethyl 2-({5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carbonyl}amino)-4-(4-methylphenyl)thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-({5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carbonyl}amino)-4-(4-methylphenyl)thiophene-3-carboxylate
ethyl 2-({5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carbonyl}amino)-4-(4-methylphenyl)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | D233-0610 |
| Compound Name: | ethyl 2-({5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carbonyl}amino)-4-(4-methylphenyl)thiophene-3-carboxylate |
| Molecular Weight: | 474 |
| Molecular Formula: | C22 H20 Cl N3 O3 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCC=C)[Cl])=O)c1c(C(=O)OCC)c(cs1)c1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.0661 |
| logD: | 4.813 |
| logSw: | -6.1371 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.192 |
| InChI Key: | XEMQTGGCWOTYRP-UHFFFAOYSA-N |