ethyl 5-acetyl-2-{[5-chloro-2-(ethanesulfonyl)pyrimidine-4-carbonyl]amino}-4-methylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-acetyl-2-{[5-chloro-2-(ethanesulfonyl)pyrimidine-4-carbonyl]amino}-4-methylthiophene-3-carboxylate
ethyl 5-acetyl-2-{[5-chloro-2-(ethanesulfonyl)pyrimidine-4-carbonyl]amino}-4-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | D053-0333 |
| Compound Name: | ethyl 5-acetyl-2-{[5-chloro-2-(ethanesulfonyl)pyrimidine-4-carbonyl]amino}-4-methylthiophene-3-carboxylate |
| Molecular Weight: | 459.93 |
| Molecular Formula: | C17 H18 Cl N3 O6 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)S(CC)(=O)=O)[Cl])=O)c1c(C(=O)OCC)c(C)c(C(C)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.3043 |
| logD: | -4.2003 |
| logSw: | -3.3975 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.154 |
| InChI Key: | YOSQJFOOMAAEMH-UHFFFAOYSA-N |