2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazol-4-yl]benzene-1,4-diol
Chemical Structure Depiction of
2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazol-4-yl]benzene-1,4-diol
2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazol-4-yl]benzene-1,4-diol
Compound characteristics
Compound ID: | Y042-2673 |
Compound Name: | 2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazol-4-yl]benzene-1,4-diol |
Molecular Weight: | 324.33 |
Molecular Formula: | C18 H16 N2 O4 |
Smiles: | C1COc2ccc(cc2OC1)c1c(c[nH]n1)c1cc(ccc1O)O |
Stereo: | ACHIRAL |
logP: | 3.1655 |
logD: | 2.7917 |
logSw: | -3.2217 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 74.476 |
InChI Key: | KKHSBGVEFQNPJM-UHFFFAOYSA-N |