1-[4-(4-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-ethylpyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
1-[4-(4-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-ethylpyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperazin-1-yl]ethan-1-one
1-[4-(4-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-ethylpyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | V022-6614 |
| Compound Name: | 1-[4-(4-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-ethylpyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 577.75 |
| Molecular Formula: | C31 H39 N5 O4 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1ccc(cc1)C(N1CCN(CC1)C(C)=O)=O)N(C)CCc1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.7262 |
| logD: | 3.7218 |
| logSw: | -3.991 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.257 |
| InChI Key: | CDNZCQWVGDMLGK-UHFFFAOYSA-N |