6-ethoxy-4-[(4-{[3-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-ethoxy-4-[(4-{[3-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)methyl]-2H-1-benzopyran-2-one
6-ethoxy-4-[(4-{[3-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | J079-0515 |
| Compound Name: | 6-ethoxy-4-[(4-{[3-(trifluoromethyl)phenyl]methyl}piperazin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 446.47 |
| Molecular Formula: | C24 H25 F3 N2 O3 |
| Smiles: | CCOc1ccc2c(c1)C(CN1CCN(CC1)Cc1cccc(c1)C(F)(F)F)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 3.7821 |
| logD: | 3.72 |
| logSw: | -4.0064 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 35.042 |
| InChI Key: | VLPKOCFCDYEDOF-UHFFFAOYSA-N |