ethyl 4-amino-2-({[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl}sulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-({[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl}sulfanyl)pyrimidine-5-carboxylate
ethyl 4-amino-2-({[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl}sulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 5645-0416 |
| Compound Name: | ethyl 4-amino-2-({[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl}sulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 416.43 |
| Molecular Formula: | C17 H17 F N8 O2 S |
| Smiles: | CCOC(c1cnc(nc1N)SCc1nc(N)nc(Nc2ccc(cc2)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9089 |
| logD: | 2.9083 |
| logSw: | -3.5272 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 120.602 |
| InChI Key: | VLJAIEKCUCADNF-UHFFFAOYSA-N |