6-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-5-hydroxy-3,4,7-trimethyl-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-3,4,7-trimethyl-2H-1-benzopyran-2-one
6-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-5-hydroxy-3,4,7-trimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-4844 |
| Compound Name: | 6-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-5-hydroxy-3,4,7-trimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 392.41 |
| Molecular Formula: | C22 H20 N2 O5 |
| Smiles: | CC1=C(C)c2c(cc(C)c(C3CC(c4ccc5c(c4)OCO5)NN=3)c2O)OC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2982 |
| logD: | 4.0519 |
| logSw: | -4.3943 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.075 |
| InChI Key: | TZYRCAXEVDGTMZ-CQSZACIVSA-N |