ethyl 2-{[5-chloro-2-(ethanesulfonyl)pyrimidine-4-carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[5-chloro-2-(ethanesulfonyl)pyrimidine-4-carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate
ethyl 2-{[5-chloro-2-(ethanesulfonyl)pyrimidine-4-carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | D053-0360 |
| Compound Name: | ethyl 2-{[5-chloro-2-(ethanesulfonyl)pyrimidine-4-carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 431.91 |
| Molecular Formula: | C16 H18 Cl N3 O5 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)S(CC)(=O)=O)[Cl])=O)c1c(C(=O)OCC)c(C)c(C)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.9816 |
| logD: | -3.0129 |
| logSw: | -3.7327 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.327 |
| InChI Key: | JOXSDJAOHIOGQS-UHFFFAOYSA-N |