N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(2-cyanophenyl)piperazin-1-yl]-4-methoxypyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(2-cyanophenyl)piperazin-1-yl]-4-methoxypyrimidine-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(2-cyanophenyl)piperazin-1-yl]-4-methoxypyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | V028-5904 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(2-cyanophenyl)piperazin-1-yl]-4-methoxypyrimidine-5-carboxamide |
| Molecular Weight: | 472.5 |
| Molecular Formula: | C25 H24 N6 O4 |
| Smiles: | COc1c(cnc(n1)N1CCN(CC1)c1ccccc1C#N)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3756 |
| logD: | 3.3755 |
| logSw: | -3.7309 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.557 |
| InChI Key: | CYKQTAVYBJUWKR-UHFFFAOYSA-N |