2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4,7,7-trimethyl-7,8-dihydroquinazolin-5(6H)-one
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4,7,7-trimethyl-7,8-dihydroquinazolin-5(6H)-one
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4,7,7-trimethyl-7,8-dihydroquinazolin-5(6H)-one
Compound characteristics
| Compound ID: | D367-0051 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4,7,7-trimethyl-7,8-dihydroquinazolin-5(6H)-one |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C23 H28 N4 O3 |
| Smiles: | Cc1c2C(CC(C)(C)Cc2nc(n1)N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4234 |
| logD: | 2.698 |
| logSw: | -3.7474 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.091 |
| InChI Key: | NEMHCIKQTSJLDP-UHFFFAOYSA-N |