ethyl 4-amino-2-[(1-{[(4-fluorophenyl)methyl]amino}-1-oxobutan-2-yl)sulfanyl]pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-[(1-{[(4-fluorophenyl)methyl]amino}-1-oxobutan-2-yl)sulfanyl]pyrimidine-5-carboxylate
ethyl 4-amino-2-[(1-{[(4-fluorophenyl)methyl]amino}-1-oxobutan-2-yl)sulfanyl]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E726-0358 |
| Compound Name: | ethyl 4-amino-2-[(1-{[(4-fluorophenyl)methyl]amino}-1-oxobutan-2-yl)sulfanyl]pyrimidine-5-carboxylate |
| Molecular Weight: | 392.45 |
| Molecular Formula: | C18 H21 F N4 O3 S |
| Smiles: | CCC(C(NCc1ccc(cc1)F)=O)Sc1ncc(C(=O)OCC)c(N)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7652 |
| logD: | 2.7652 |
| logSw: | -3.2341 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.917 |
| InChI Key: | PBYHQCYAAIDVCT-AWEZNQCLSA-N |