8-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-9-hydroxy-7-methyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
8-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-9-hydroxy-7-methyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
8-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-9-hydroxy-7-methyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | Y040-4871 |
| Compound Name: | 8-[5-(2H-1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-3-yl]-9-hydroxy-7-methyl-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 404.42 |
| Molecular Formula: | C23 H20 N2 O5 |
| Smiles: | Cc1cc2c(C3CCCC=3C(=O)O2)c(c1C1CC(c2ccc3c(c2)OCO3)NN=1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1195 |
| logD: | 3.973 |
| logSw: | -4.3226 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.362 |
| InChI Key: | QUVABAIZQJMEOE-OAHLLOKOSA-N |