1-(6-{[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-ethylpiperidine-4-carboxamide
Chemical Structure Depiction of
1-(6-{[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-ethylpiperidine-4-carboxamide
1-(6-{[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-ethylpiperidine-4-carboxamide
Compound characteristics
Compound ID: | M779-1348 |
Compound Name: | 1-(6-{[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-ethylpiperidine-4-carboxamide |
Molecular Weight: | 463.99 |
Molecular Formula: | C21 H26 Cl N5 O3 S |
Smiles: | CCNC(C1CCN(CC1)c1cc(ncn1)SCC(Nc1ccc(c(c1)[Cl])OC)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.3529 |
logD: | 3.3525 |
logSw: | -3.5435 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 77.144 |
InChI Key: | FQPZHTLYQVUEKZ-UHFFFAOYSA-N |