6-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-5-hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-5-hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one
6-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-5-hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-4843 |
| Compound Name: | 6-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-5-hydroxy-4,7-dimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 378.38 |
| Molecular Formula: | C21 H18 N2 O5 |
| Smiles: | CC1=CC(=O)Oc2cc(C)c(C3CC(c4ccc5c(c4)OCO5)NN=3)c(c12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7212 |
| logD: | 3.1954 |
| logSw: | -4.1484 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.561 |
| InChI Key: | XKNUSXPXDSTJSA-CYBMUJFWSA-N |