1-(6-{[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-ethylpiperidine-4-carboxamide
Chemical Structure Depiction of
1-(6-{[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-ethylpiperidine-4-carboxamide
1-(6-{[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-ethylpiperidine-4-carboxamide
Compound characteristics
| Compound ID: | M779-1324 |
| Compound Name: | 1-(6-{[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-ethylpiperidine-4-carboxamide |
| Molecular Weight: | 451.95 |
| Molecular Formula: | C20 H23 Cl F N5 O2 S |
| Smiles: | CCNC(C1CCN(CC1)c1cc(ncn1)SCC(Nc1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5724 |
| logD: | 3.5632 |
| logSw: | -3.7966 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.514 |
| InChI Key: | PPRKVTFQAAFKHN-UHFFFAOYSA-N |