1-(6-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-ethylpiperidine-4-carboxamide
Chemical Structure Depiction of
1-(6-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-ethylpiperidine-4-carboxamide
1-(6-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-ethylpiperidine-4-carboxamide
Compound characteristics
| Compound ID: | M779-1285 |
| Compound Name: | 1-(6-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-ethylpiperidine-4-carboxamide |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C22 H27 N5 O3 S |
| Smiles: | CCNC(C1CCN(CC1)c1cc(ncn1)SCC(Nc1ccc(cc1)C(C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3843 |
| logD: | 2.384 |
| logSw: | -2.7837 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.34 |
| InChI Key: | XESMFRXCQUBKDQ-UHFFFAOYSA-N |