1-(6-{[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-ethylpiperidine-4-carboxamide
Chemical Structure Depiction of
1-(6-{[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-ethylpiperidine-4-carboxamide
1-(6-{[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-ethylpiperidine-4-carboxamide
Compound characteristics
| Compound ID: | M779-1271 |
| Compound Name: | 1-(6-{[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-ethylpiperidine-4-carboxamide |
| Molecular Weight: | 443.57 |
| Molecular Formula: | C22 H29 N5 O3 S |
| Smiles: | CCNC(C1CCN(CC1)c1cc(ncn1)SCC(Nc1ccccc1OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0169 |
| logD: | 3.0168 |
| logSw: | -3.2751 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.026 |
| InChI Key: | ROROJQFLTXCBLL-UHFFFAOYSA-N |