2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
Compound characteristics
| Compound ID: | D367-0052 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one |
| Molecular Weight: | 394.47 |
| Molecular Formula: | C22 H26 N4 O3 |
| Smiles: | CC1CC(c2c(C)nc(nc2C1)N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5835 |
| logD: | 2.8581 |
| logSw: | -3.9106 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.091 |
| InChI Key: | JYMYHICTMJPPED-CQSZACIVSA-N |