3-(2-chlorophenyl)-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(2-chlorophenyl)-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
3-(2-chlorophenyl)-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 7249-0003 |
| Compound Name: | 3-(2-chlorophenyl)-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 423.82 |
| Molecular Formula: | C21 H17 Cl F3 N O3 |
| Smiles: | C1CCN(C1)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)c1ccccc1[Cl])=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.7284 |
| logD: | 3.3911 |
| logSw: | -4.4135 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.609 |
| InChI Key: | ISOQWYWWIWRDLV-UHFFFAOYSA-N |