4-{4-[(4-oxo-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-2-yl)methyl]-1,4-diazepane-1-carbonyl}benzonitrile
Chemical Structure Depiction of
4-{4-[(4-oxo-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-2-yl)methyl]-1,4-diazepane-1-carbonyl}benzonitrile
4-{4-[(4-oxo-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-2-yl)methyl]-1,4-diazepane-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | V006-6277 |
| Compound Name: | 4-{4-[(4-oxo-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-2-yl)methyl]-1,4-diazepane-1-carbonyl}benzonitrile |
| Molecular Weight: | 511.5 |
| Molecular Formula: | C27 H24 F3 N3 O4 |
| Smiles: | C1CN(CCN(C1)C(c1ccc(C#N)cc1)=O)CC1=CC(C(=CO1)OCc1ccc(cc1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.188 |
| logD: | 3.1847 |
| logSw: | -3.2673 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.727 |
| InChI Key: | MRHQSOXTRFZLRP-UHFFFAOYSA-N |