1-(6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-propylpiperidine-4-carboxamide
Chemical Structure Depiction of
1-(6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-propylpiperidine-4-carboxamide
1-(6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-propylpiperidine-4-carboxamide
Compound characteristics
| Compound ID: | M779-1076 |
| Compound Name: | 1-(6-{[2-(3-chloroanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-propylpiperidine-4-carboxamide |
| Molecular Weight: | 447.99 |
| Molecular Formula: | C21 H26 Cl N5 O2 S |
| Smiles: | CCCNC(C1CCN(CC1)c1cc(ncn1)SCC(Nc1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.062 |
| logD: | 4.0618 |
| logSw: | -4.1315 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.729 |
| InChI Key: | FEIQGBAUBPWNNI-UHFFFAOYSA-N |