3-[(2S)-1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-oxopropan-2-yl]quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[(2S)-1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-oxopropan-2-yl]quinazolin-4(3H)-one
3-[(2S)-1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-oxopropan-2-yl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y042-8905 |
| Compound Name: | 3-[(2S)-1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-oxopropan-2-yl]quinazolin-4(3H)-one |
| Molecular Weight: | 420.47 |
| Molecular Formula: | C23 H24 N4 O4 |
| Smiles: | C[C@@H](C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)N1C=Nc2ccccc2C1=O |
| Stereo: | ABSOLUTE |
| logP: | 1.1927 |
| logD: | 0.9163 |
| logSw: | -2.3867 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.421 |
| InChI Key: | WNPDGSCWXIANEY-INIZCTEOSA-N |