N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y205-2745 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{3-[(propan-2-yl)oxy]phenyl}quinoline-4-carboxamide |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C27 H24 N2 O4 |
| Smiles: | CC(C)Oc1cccc(c1)c1cc(C(NCc2ccc3c(c2)OCO3)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 6.0036 |
| logD: | 6.0021 |
| logSw: | -5.775 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.629 |
| InChI Key: | CELCTJMYKSWFJT-UHFFFAOYSA-N |