ethyl 4-[(5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carbonyl)amino]benzoate
ethyl 4-[(5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | D233-0034 |
| Compound Name: | ethyl 4-[(5-chloro-2-{[(4-fluorophenyl)methyl]sulfanyl}pyrimidine-4-carbonyl)amino]benzoate |
| Molecular Weight: | 445.9 |
| Molecular Formula: | C21 H17 Cl F N3 O3 S |
| Smiles: | [H]N(C(c1c(cnc(n1)SCc1ccc(cc1)F)[Cl])=O)c1ccc(cc1)C(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 5.1745 |
| logD: | 5.1241 |
| logSw: | -5.5869 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.397 |
| InChI Key: | AGZRBECVZPHAMX-UHFFFAOYSA-N |