3-(4-oxo-4-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}butyl)-1,2,3-benzotriazin-4(3H)-one
Chemical Structure Depiction of
3-(4-oxo-4-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}butyl)-1,2,3-benzotriazin-4(3H)-one
3-(4-oxo-4-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}butyl)-1,2,3-benzotriazin-4(3H)-one
Compound characteristics
| Compound ID: | Y041-6795 |
| Compound Name: | 3-(4-oxo-4-{4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}butyl)-1,2,3-benzotriazin-4(3H)-one |
| Molecular Weight: | 406.49 |
| Molecular Formula: | C22 H26 N6 O2 |
| Smiles: | C(CC(N1CCN(CCc2ccncc2)CC1)=O)CN1C(c2ccccc2N=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8006 |
| logD: | 0.7365 |
| logSw: | -1.6211 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.251 |
| InChI Key: | JASFVKCIUWWWQM-UHFFFAOYSA-N |