ethyl 2-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}-4-phenylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}-4-phenylthiophene-3-carboxylate
ethyl 2-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}-4-phenylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | D054-0262 |
| Compound Name: | ethyl 2-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}-4-phenylthiophene-3-carboxylate |
| Molecular Weight: | 447.96 |
| Molecular Formula: | C20 H18 Cl N3 O3 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCC)[Cl])=O)c1c(C(=O)OCC)c(cs1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2786 |
| logD: | 4.0255 |
| logSw: | -5.8168 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.192 |
| InChI Key: | LFBYCSKUGKKDEY-UHFFFAOYSA-N |