2-methylpropyl 2-[(5-chloro-2-{[(2-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
2-methylpropyl 2-[(5-chloro-2-{[(2-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
2-methylpropyl 2-[(5-chloro-2-{[(2-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | D233-0697 |
| Compound Name: | 2-methylpropyl 2-[(5-chloro-2-{[(2-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 494.99 |
| Molecular Formula: | C21 H20 Cl F N4 O3 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCc1ccccc1F)[Cl])=O)c1nc(C)c(C(=O)OCC(C)C)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.0809 |
| logD: | 4.2651 |
| logSw: | -6.0633 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.396 |
| InChI Key: | BNAAMWRRJBWZJT-UHFFFAOYSA-N |