1-(6-{[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-ethylpiperidine-4-carboxamide
Chemical Structure Depiction of
1-(6-{[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-ethylpiperidine-4-carboxamide
1-(6-{[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-ethylpiperidine-4-carboxamide
Compound characteristics
| Compound ID: | M779-1326 |
| Compound Name: | 1-(6-{[2-(4-chloro-2-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(cc1F)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4641 |
| logD: | 3.4547 |
| logSw: | -3.8016 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.816 |
| InChI Key: | BHKWHFUSPXMXGQ-UHFFFAOYSA-N |