ethyl 1-{[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]acetyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]acetyl}piperidine-3-carboxylate
ethyl 1-{[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]acetyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | M179-3646 |
| Compound Name: | ethyl 1-{[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]acetyl}piperidine-3-carboxylate |
| Molecular Weight: | 448.97 |
| Molecular Formula: | C21 H25 Cl N4 O3 S |
| Smiles: | CCOC(C1CCCN(C1)C(CSc1cc(NCc2ccc(cc2)[Cl])ncn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4841 |
| logD: | 3.4826 |
| logSw: | -3.803 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.019 |
| InChI Key: | WLYOGYXQNCPTEX-INIZCTEOSA-N |