diethyl 5-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
diethyl 5-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | D054-0263 |
| Compound Name: | diethyl 5-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 457.95 |
| Molecular Formula: | C18 H20 Cl N3 O5 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCC)[Cl])=O)c1c(C(=O)OCC)c(C)c(C(=O)OCC)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3246 |
| logD: | -0.3433 |
| logSw: | -4.6262 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.217 |
| InChI Key: | QFQUBLLWQYBDDQ-UHFFFAOYSA-N |