3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1,2,3-benzotriazin-4(3H)-one
Chemical Structure Depiction of
3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1,2,3-benzotriazin-4(3H)-one
3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1,2,3-benzotriazin-4(3H)-one
Compound characteristics
| Compound ID: | Y040-9812 |
| Compound Name: | 3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1,2,3-benzotriazin-4(3H)-one |
| Molecular Weight: | 320.35 |
| Molecular Formula: | C18 H16 N4 O2 |
| Smiles: | C1CN(Cc2ccccc12)C(CN1C(c2ccccc2N=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3435 |
| logD: | 2.3435 |
| logSw: | -2.8149 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.987 |
| InChI Key: | UMXVZJZELOTHDG-UHFFFAOYSA-N |