ethyl 5-acetyl-2-{[5-chloro-2-(methanesulfonyl)pyrimidine-4-carbonyl]amino}-4-methylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-acetyl-2-{[5-chloro-2-(methanesulfonyl)pyrimidine-4-carbonyl]amino}-4-methylthiophene-3-carboxylate
ethyl 5-acetyl-2-{[5-chloro-2-(methanesulfonyl)pyrimidine-4-carbonyl]amino}-4-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | D053-0238 |
| Compound Name: | ethyl 5-acetyl-2-{[5-chloro-2-(methanesulfonyl)pyrimidine-4-carbonyl]amino}-4-methylthiophene-3-carboxylate |
| Molecular Weight: | 445.9 |
| Molecular Formula: | C16 H16 Cl N3 O6 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)S(C)(=O)=O)[Cl])=O)c1c(C(=O)OCC)c(C)c(C(C)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.6537 |
| logD: | -4.851 |
| logSw: | -2.9574 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.866 |
| InChI Key: | DTQGWPNMKGVHBA-UHFFFAOYSA-N |