ethyl 5-acetyl-2-{[5-chloro-2-(methylsulfanyl)pyrimidine-4-carbonyl]amino}-4-methylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-acetyl-2-{[5-chloro-2-(methylsulfanyl)pyrimidine-4-carbonyl]amino}-4-methylthiophene-3-carboxylate
ethyl 5-acetyl-2-{[5-chloro-2-(methylsulfanyl)pyrimidine-4-carbonyl]amino}-4-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | D054-0159 |
| Compound Name: | ethyl 5-acetyl-2-{[5-chloro-2-(methylsulfanyl)pyrimidine-4-carbonyl]amino}-4-methylthiophene-3-carboxylate |
| Molecular Weight: | 413.9 |
| Molecular Formula: | C16 H16 Cl N3 O4 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SC)[Cl])=O)c1c(C(=O)OCC)c(C)c(C(C)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.3231 |
| logD: | -2.0748 |
| logSw: | -3.822 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.29 |
| InChI Key: | NTRYCLZXJZHRCG-UHFFFAOYSA-N |