3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-ethylbenzamide
Chemical Structure Depiction of
3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-ethylbenzamide
3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-ethylbenzamide
Compound characteristics
| Compound ID: | V003-2117 |
| Compound Name: | 3-{[(4-tert-butyl-6-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}pyrimidin-2-yl)sulfanyl]methyl}-N-ethylbenzamide |
| Molecular Weight: | 522.71 |
| Molecular Formula: | C29 H38 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCNC(c1cccc(CSc2nc(cc(n2)N(C)CCc2ccc(c(c2)OC)OC)C(C)(C)C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4219 |
| logD: | 5.4148 |
| logSw: | -5.3467 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.228 |
| InChI Key: | LQPUHTRGQUOTTC-UHFFFAOYSA-N |