3-{2-oxo-2-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]ethyl}-1,2,3-benzotriazin-4(3H)-one
Chemical Structure Depiction of
3-{2-oxo-2-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]ethyl}-1,2,3-benzotriazin-4(3H)-one
3-{2-oxo-2-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]ethyl}-1,2,3-benzotriazin-4(3H)-one
Compound characteristics
| Compound ID: | Y040-2906 |
| Compound Name: | 3-{2-oxo-2-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]ethyl}-1,2,3-benzotriazin-4(3H)-one |
| Molecular Weight: | 389.46 |
| Molecular Formula: | C22 H23 N5 O2 |
| Smiles: | C1CN(CCN1C/C=C/c1ccccc1)C(CN1C(c2ccccc2N=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5 |
| logD: | 2.4982 |
| logSw: | -2.9772 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.844 |
| InChI Key: | XWVQUBYFJNRYLL-UHFFFAOYSA-N |