diethyl 5-{[5-chloro-2-(ethanesulfonyl)pyrimidine-4-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-{[5-chloro-2-(ethanesulfonyl)pyrimidine-4-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
diethyl 5-{[5-chloro-2-(ethanesulfonyl)pyrimidine-4-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | D053-0331 |
| Compound Name: | diethyl 5-{[5-chloro-2-(ethanesulfonyl)pyrimidine-4-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 489.95 |
| Molecular Formula: | C18 H20 Cl N3 O7 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)S(CC)(=O)=O)[Cl])=O)c1c(C(=O)OCC)c(C)c(C(=O)OCC)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.9073 |
| logD: | -2.8674 |
| logSw: | -3.7347 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.081 |
| InChI Key: | JMYRXOCUUDAIJR-UHFFFAOYSA-N |