ethyl 4-amino-2-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
ethyl 4-amino-2-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | D133-0055 |
| Compound Name: | ethyl 4-amino-2-{[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 350.37 |
| Molecular Formula: | C15 H15 F N4 O3 S |
| Smiles: | CCOC(c1cnc(nc1N)SCC(Nc1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4231 |
| logD: | 2.423 |
| logSw: | -2.9808 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.382 |
| InChI Key: | BEPDISVKQVJGRP-UHFFFAOYSA-N |