2-[(4-tetradecanoyl-1,4-diazepan-1-yl)methyl]-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
Chemical Structure Depiction of
2-[(4-tetradecanoyl-1,4-diazepan-1-yl)methyl]-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
2-[(4-tetradecanoyl-1,4-diazepan-1-yl)methyl]-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-8027 |
| Compound Name: | 2-[(4-tetradecanoyl-1,4-diazepan-1-yl)methyl]-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one |
| Molecular Weight: | 592.74 |
| Molecular Formula: | C33 H47 F3 N2 O4 |
| Salt: | not_available |
| Smiles: | CCCCCCCCCCCCCC(N1CCCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 8.0686 |
| logD: | 8.0469 |
| logSw: | -5.6981 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.414 |
| InChI Key: | UCIIOHXKZOXJGB-UHFFFAOYSA-N |