ethyl 2-{[5-chloro-2-(methanesulfonyl)pyrimidine-4-carbonyl]amino}-4-(4-methylphenyl)thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[5-chloro-2-(methanesulfonyl)pyrimidine-4-carbonyl]amino}-4-(4-methylphenyl)thiophene-3-carboxylate
ethyl 2-{[5-chloro-2-(methanesulfonyl)pyrimidine-4-carbonyl]amino}-4-(4-methylphenyl)thiophene-3-carboxylate
Compound characteristics
| Compound ID: | D053-0243 |
| Compound Name: | ethyl 2-{[5-chloro-2-(methanesulfonyl)pyrimidine-4-carbonyl]amino}-4-(4-methylphenyl)thiophene-3-carboxylate |
| Molecular Weight: | 479.96 |
| Molecular Formula: | C20 H18 Cl N3 O5 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)S(C)(=O)=O)[Cl])=O)c1c(C(=O)OCC)c(cs1)c1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7391 |
| logD: | 1.4023 |
| logSw: | -4.4856 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.768 |
| InChI Key: | SQJANISVQMVWAO-UHFFFAOYSA-N |