N-ethyl-1-{6-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]pyrimidin-4-yl}piperidine-4-carboxamide
Chemical Structure Depiction of
N-ethyl-1-{6-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]pyrimidin-4-yl}piperidine-4-carboxamide
N-ethyl-1-{6-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]pyrimidin-4-yl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | M779-1952 |
| Compound Name: | N-ethyl-1-{6-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]pyrimidin-4-yl}piperidine-4-carboxamide |
| Molecular Weight: | 427.57 |
| Molecular Formula: | C22 H29 N5 O2 S |
| Smiles: | CCNC(C1CCN(CC1)c1cc(ncn1)SCC(NCc1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.947 |
| logD: | 2.9469 |
| logSw: | -3.1208 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.836 |
| InChI Key: | IRNFAWSFKRPAEJ-UHFFFAOYSA-N |