(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetonitrile
Chemical Structure Depiction of
(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetonitrile
(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetonitrile
Compound characteristics
| Compound ID: | F313-4925 |
| Compound Name: | (2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetonitrile |
| Molecular Weight: | 367.41 |
| Molecular Formula: | C19 H21 N5 O3 |
| Smiles: | CC1=C(CC#N)C(NC(=N1)N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9739 |
| logD: | -0.4345 |
| logSw: | -2.2936 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.756 |
| InChI Key: | ZJOMVITYNPTOKX-UHFFFAOYSA-N |