3-{2-[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-1,2,3-benzotriazin-4(3H)-one
Chemical Structure Depiction of
3-{2-[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-1,2,3-benzotriazin-4(3H)-one
3-{2-[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-1,2,3-benzotriazin-4(3H)-one
Compound characteristics
| Compound ID: | Y040-2875 |
| Compound Name: | 3-{2-[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-1,2,3-benzotriazin-4(3H)-one |
| Molecular Weight: | 435.44 |
| Molecular Formula: | C22 H21 N5 O5 |
| Smiles: | C1CN(CCN1C(CN1C(c2ccccc2N=N1)=O)=O)C(C1COc2ccccc2O1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3129 |
| logD: | 1.3129 |
| logSw: | -2.3423 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 89.218 |
| InChI Key: | GMFHZFBNKMYTCP-IBGZPJMESA-N |