2-methylpropyl 2-{[5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
2-methylpropyl 2-{[5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
2-methylpropyl 2-{[5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | D053-0426 |
| Compound Name: | 2-methylpropyl 2-{[5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 460.96 |
| Molecular Formula: | C17 H21 Cl N4 O5 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)S(CCC)(=O)=O)[Cl])=O)c1nc(C)c(C(=O)OCC(C)C)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.748 |
| logD: | 0.8316 |
| logSw: | -3.9959 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.531 |
| InChI Key: | CRNVQNHVBDEGIX-UHFFFAOYSA-N |