6-[5-(2-chloro-6-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-hydroxy-3,4,7-trimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-[5-(2-chloro-6-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-hydroxy-3,4,7-trimethyl-2H-1-benzopyran-2-one
6-[5-(2-chloro-6-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-hydroxy-3,4,7-trimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-4847 |
| Compound Name: | 6-[5-(2-chloro-6-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-hydroxy-3,4,7-trimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 400.84 |
| Molecular Formula: | C21 H18 Cl F N2 O3 |
| Smiles: | CC1=C(C)c2c(cc(C)c(C3CC(c4c(cccc4[Cl])F)NN=3)c2O)OC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7215 |
| logD: | 4.4767 |
| logSw: | -4.6499 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.96 |
| InChI Key: | GGHISRKTUXYPEV-HNNXBMFYSA-N |