2-methylpropyl 2-{[5-chloro-2-(methylsulfanyl)pyrimidine-4-carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
2-methylpropyl 2-{[5-chloro-2-(methylsulfanyl)pyrimidine-4-carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
2-methylpropyl 2-{[5-chloro-2-(methylsulfanyl)pyrimidine-4-carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | D054-0178 |
| Compound Name: | 2-methylpropyl 2-{[5-chloro-2-(methylsulfanyl)pyrimidine-4-carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 400.9 |
| Molecular Formula: | C15 H17 Cl N4 O3 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SC)[Cl])=O)c1nc(C)c(C(=O)OCC(C)C)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.312 |
| logD: | 2.4962 |
| logSw: | -4.3156 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.668 |
| InChI Key: | NOSDNPPIGSEPQL-UHFFFAOYSA-N |