2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5,6,7,8-tetrahydroquinazolin-4(3H)-one
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5,6,7,8-tetrahydroquinazolin-4(3H)-one
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5,6,7,8-tetrahydroquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y020-1137 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5,6,7,8-tetrahydroquinazolin-4(3H)-one |
| Molecular Weight: | 368.43 |
| Molecular Formula: | C20 H24 N4 O3 |
| Smiles: | C1CCC2=C(C1)C(NC(=N2)N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0182 |
| logD: | 0.6097 |
| logSw: | -2.8548 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.584 |
| InChI Key: | CNDOIRUJJNOLQL-UHFFFAOYSA-N |