8-[(4-benzylpiperazin-1-yl)methyl]-3-(2,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-[(4-benzylpiperazin-1-yl)methyl]-3-(2,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
8-[(4-benzylpiperazin-1-yl)methyl]-3-(2,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 6647-2111 |
| Compound Name: | 8-[(4-benzylpiperazin-1-yl)methyl]-3-(2,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 538.57 |
| Molecular Formula: | C30 H29 F3 N2 O4 |
| Smiles: | Cc1ccc(C)c(c1)OC1=C(C(F)(F)F)Oc2c(ccc(c2CN2CCN(CC2)Cc2ccccc2)O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 5.8653 |
| logD: | 5.5241 |
| logSw: | -5.3332 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.207 |
| InChI Key: | MLCAYJXERRBVIA-UHFFFAOYSA-N |