3-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}-1,2,3-benzotriazin-4(3H)-one
Chemical Structure Depiction of
3-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}-1,2,3-benzotriazin-4(3H)-one
3-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}-1,2,3-benzotriazin-4(3H)-one
Compound characteristics
| Compound ID: | Y041-0002 |
| Compound Name: | 3-{4-oxo-4-[4-(pyridin-2-yl)piperazin-1-yl]butyl}-1,2,3-benzotriazin-4(3H)-one |
| Molecular Weight: | 378.43 |
| Molecular Formula: | C20 H22 N6 O2 |
| Smiles: | C(CC(N1CCN(CC1)c1ccccn1)=O)CN1C(c2ccccc2N=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8873 |
| logD: | 1.8784 |
| logSw: | -2.4385 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.075 |
| InChI Key: | ODFNDOOXXJTCHF-UHFFFAOYSA-N |