1-(6-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-propylpiperidine-4-carboxamide
Chemical Structure Depiction of
1-(6-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-propylpiperidine-4-carboxamide
1-(6-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-propylpiperidine-4-carboxamide
Compound characteristics
| Compound ID: | M779-1010 |
| Compound Name: | 1-(6-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}pyrimidin-4-yl)-N-propylpiperidine-4-carboxamide |
| Molecular Weight: | 427.57 |
| Molecular Formula: | C22 H29 N5 O2 S |
| Smiles: | CCCNC(C1CCN(CC1)c1cc(ncn1)SCC(Nc1cccc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6684 |
| logD: | 3.6683 |
| logSw: | -3.5827 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.729 |
| InChI Key: | DOMMYSMHKZYHSS-UHFFFAOYSA-N |