3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-5,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-ethylbenzamide
Chemical Structure Depiction of
3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-5,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-ethylbenzamide
3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-5,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-ethylbenzamide
Compound characteristics
| Compound ID: | V003-4585 |
| Compound Name: | 3-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-5,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N-ethylbenzamide |
| Molecular Weight: | 494.66 |
| Molecular Formula: | C27 H34 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCNC(c1cccc(CSc2nc(C)c(C)c(n2)N(C)CCc2ccc(c(c2)OC)OC)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2961 |
| logD: | 4.2765 |
| logSw: | -4.334 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.275 |
| InChI Key: | OPTPYKGRTJDUFI-UHFFFAOYSA-N |