5-{[3,5-bis(trifluoromethyl)phenyl]carbamamido}-2-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(2-phenylethyl)benzamide
Chemical Structure Depiction of
5-{[3,5-bis(trifluoromethyl)phenyl]carbamamido}-2-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(2-phenylethyl)benzamide
5-{[3,5-bis(trifluoromethyl)phenyl]carbamamido}-2-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(2-phenylethyl)benzamide
Compound characteristics
| Compound ID: | V014-1564 |
| Compound Name: | 5-{[3,5-bis(trifluoromethyl)phenyl]carbamamido}-2-(3,4-dihydroisoquinolin-2(1H)-yl)-N-(2-phenylethyl)benzamide |
| Molecular Weight: | 626.6 |
| Molecular Formula: | C33 H28 F6 N4 O2 |
| Salt: | not_available |
| Smiles: | C(CNC(c1cc(ccc1N1CCc2ccccc2C1)NC(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 8.4922 |
| logD: | 8.4703 |
| logSw: | -6.2886 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 59.61 |
| InChI Key: | DDJNIJTTZCPYDZ-UHFFFAOYSA-N |