diethyl 5-{[5-chloro-2-(methylsulfanyl)pyrimidine-4-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-{[5-chloro-2-(methylsulfanyl)pyrimidine-4-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
diethyl 5-{[5-chloro-2-(methylsulfanyl)pyrimidine-4-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | D054-0157 |
| Compound Name: | diethyl 5-{[5-chloro-2-(methylsulfanyl)pyrimidine-4-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 443.93 |
| Molecular Formula: | C17 H18 Cl N3 O5 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SC)[Cl])=O)c1c(C(=O)OCC)c(C)c(C(=O)OCC)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.926 |
| logD: | -0.7419 |
| logSw: | -4.5247 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.217 |
| InChI Key: | MFUFWDNRWZRKHW-UHFFFAOYSA-N |