ethyl 2-{[5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate
ethyl 2-{[5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | D233-0873 |
| Compound Name: | ethyl 2-{[5-chloro-2-(phenylmethanesulfonyl)pyrimidine-4-carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 493.99 |
| Molecular Formula: | C21 H20 Cl N3 O5 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)S(Cc1ccccc1)(=O)=O)[Cl])=O)c1c(C(=O)OCC)c(C)c(C)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0147 |
| logD: | -1.9799 |
| logSw: | -4.546 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.055 |
| InChI Key: | VJUILMVWFZJOLZ-UHFFFAOYSA-N |