N-ethyl-1-(6-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-ethyl-1-(6-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)piperidine-4-carboxamide
N-ethyl-1-(6-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)piperidine-4-carboxamide
Compound characteristics
Compound ID: | M779-1251 |
Compound Name: | N-ethyl-1-(6-{[2-(2-ethylanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)piperidine-4-carboxamide |
Molecular Weight: | 427.57 |
Molecular Formula: | C22 H29 N5 O2 S |
Smiles: | CCc1ccccc1NC(CSc1cc(ncn1)N1CCC(CC1)C(NCC)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.3418 |
logD: | 3.3417 |
logSw: | -3.3625 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 68.816 |
InChI Key: | YIJXGYGHGQVVSE-UHFFFAOYSA-N |