2-methylpropyl 2-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
2-methylpropyl 2-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
2-methylpropyl 2-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | D054-0288 |
| Compound Name: | 2-methylpropyl 2-{[5-chloro-2-(ethylsulfanyl)pyrimidine-4-carbonyl]amino}-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 414.93 |
| Molecular Formula: | C16 H19 Cl N4 O3 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCC)[Cl])=O)c1nc(C)c(C(=O)OCC(C)C)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.7106 |
| logD: | 2.8947 |
| logSw: | -4.7164 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.668 |
| InChI Key: | VXYDBZWNYRNPAI-UHFFFAOYSA-N |