ethyl 1-(4-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-(4-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperidine-3-carboxylate
ethyl 1-(4-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V003-6003 |
| Compound Name: | ethyl 1-(4-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperidine-3-carboxylate |
| Molecular Weight: | 634.84 |
| Molecular Formula: | C35 H46 N4 O5 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCCN(C1)C(c1ccc(CSc2nc(cc(n2)N(C)CCc2ccc(c(c2)OC)OC)C(C)(C)C)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8545 |
| logD: | 5.8474 |
| logSw: | -5.3355 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.253 |
| InChI Key: | OACQCMAAGRFPHJ-MHZLTWQESA-N |