2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-[4-(propan-2-yl)phenyl]-7,8-dihydroquinazolin-5(6H)-one
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-[4-(propan-2-yl)phenyl]-7,8-dihydroquinazolin-5(6H)-one
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-[4-(propan-2-yl)phenyl]-7,8-dihydroquinazolin-5(6H)-one
Compound characteristics
| Compound ID: | 7913-0057 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-[4-(propan-2-yl)phenyl]-7,8-dihydroquinazolin-5(6H)-one |
| Molecular Weight: | 484.6 |
| Molecular Formula: | C29 H32 N4 O3 |
| Smiles: | CC(C)c1ccc(cc1)C1CC(c2cnc(nc2C1)N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1828 |
| logD: | 4.4574 |
| logSw: | -4.9019 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.764 |
| InChI Key: | LSMLFWDJPPVJEU-HSZRJFAPSA-N |