N-ethyl-1-(6-{[2-(3-ethylanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-ethyl-1-(6-{[2-(3-ethylanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)piperidine-4-carboxamide
N-ethyl-1-(6-{[2-(3-ethylanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | M779-1252 |
| Compound Name: | N-ethyl-1-(6-{[2-(3-ethylanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)piperidine-4-carboxamide |
| Molecular Weight: | 427.57 |
| Molecular Formula: | C22 H29 N5 O2 S |
| Smiles: | CCc1cccc(c1)NC(CSc1cc(ncn1)N1CCC(CC1)C(NCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6327 |
| logD: | 3.6326 |
| logSw: | -3.661 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.514 |
| InChI Key: | WDPOWYYLFJDGCW-UHFFFAOYSA-N |