{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[2-(pyrrolidin-1-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[2-(pyrrolidin-1-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[2-(pyrrolidin-1-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanone
Compound characteristics
| Compound ID: | T828-0078 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[2-(pyrrolidin-1-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanone |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C25 H31 N5 O3 |
| Smiles: | C1CCN(C1)c1ncc2CC(CCc2n1)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6118 |
| logD: | 2.1434 |
| logSw: | -2.7859 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.802 |
| InChI Key: | KLPZVDFJMHOJCC-IBGZPJMESA-N |