ethyl 5-acetyl-2-({5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carbonyl}amino)-4-methylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-acetyl-2-({5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carbonyl}amino)-4-methylthiophene-3-carboxylate
ethyl 5-acetyl-2-({5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carbonyl}amino)-4-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | D233-0601 |
| Compound Name: | ethyl 5-acetyl-2-({5-chloro-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carbonyl}amino)-4-methylthiophene-3-carboxylate |
| Molecular Weight: | 439.94 |
| Molecular Formula: | C18 H18 Cl N3 O4 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCC=C)[Cl])=O)c1c(C(=O)OCC)c(C)c(C(C)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.9807 |
| logD: | -1.4173 |
| logSw: | -4.5018 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.29 |
| InChI Key: | UJQAAGNBTBREMH-UHFFFAOYSA-N |