3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-6-fluoro-2-methylquinazolin-4(3H)-one
Chemical Structure Depiction of
3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-6-fluoro-2-methylquinazolin-4(3H)-one
3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-6-fluoro-2-methylquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y043-4043 |
| Compound Name: | 3-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-6-fluoro-2-methylquinazolin-4(3H)-one |
| Molecular Weight: | 438.46 |
| Molecular Formula: | C23 H23 F N4 O4 |
| Smiles: | CC1=Nc2ccc(cc2C(N1CC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)=O)F |
| Stereo: | ACHIRAL |
| logP: | 1.6928 |
| logD: | 1.5012 |
| logSw: | -2.4786 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.434 |
| InChI Key: | JPIYAAAABWQLCR-UHFFFAOYSA-N |