ethyl 4-amino-2-({2-[(4-fluorophenyl)(methyl)amino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-({2-[(4-fluorophenyl)(methyl)amino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
ethyl 4-amino-2-({2-[(4-fluorophenyl)(methyl)amino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0084 |
| Compound Name: | ethyl 4-amino-2-({2-[(4-fluorophenyl)(methyl)amino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 364.4 |
| Molecular Formula: | C16 H17 F N4 O3 S |
| Smiles: | CCOC(c1cnc(nc1N)SCC(N(C)c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.862 |
| logD: | 1.862 |
| logSw: | -2.4883 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.345 |
| InChI Key: | KMQAIIIPUJKDDC-UHFFFAOYSA-N |