1-[4-(pyrimidin-2-yl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)isoquinoline-4-carboxamide
Chemical Structure Depiction of
1-[4-(pyrimidin-2-yl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)isoquinoline-4-carboxamide
1-[4-(pyrimidin-2-yl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)isoquinoline-4-carboxamide
Compound characteristics
Compound ID: | C066-0363 |
Compound Name: | 1-[4-(pyrimidin-2-yl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)isoquinoline-4-carboxamide |
Molecular Weight: | 500.56 |
Molecular Formula: | C27 H28 N6 O4 |
Smiles: | COc1cc(cc(c1OC)OC)NC(c1cnc(c2ccccc12)N1CCN(CC1)c1ncccn1)=O |
Stereo: | ACHIRAL |
logP: | 3.9095 |
logD: | 3.9081 |
logSw: | -3.8504 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 80.182 |
InChI Key: | IYZWFSSMWZCMMP-UHFFFAOYSA-N |