N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]-1,6-dihydropyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]-1,6-dihydropyrimidine-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]-1,6-dihydropyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | V028-1447 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]-1,6-dihydropyrimidine-5-carboxamide |
| Molecular Weight: | 434.45 |
| Molecular Formula: | C22 H22 N6 O4 |
| Salt: | not_available |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(C1=CN=C(NC1=O)N1CCN(CC1)c1ccccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7038 |
| logD: | 0.8581 |
| logSw: | -2.1973 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.246 |
| InChI Key: | TXYOEFUIGFNOOG-UHFFFAOYSA-N |