2-{[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}-N-(pyridin-4-yl)acetamide
Chemical Structure Depiction of
2-{[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}-N-(pyridin-4-yl)acetamide
2-{[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}-N-(pyridin-4-yl)acetamide
Compound characteristics
| Compound ID: | IB04-2108 |
| Compound Name: | 2-{[3-(4-chlorophenyl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}-N-(pyridin-4-yl)acetamide |
| Molecular Weight: | 420.85 |
| Molecular Formula: | C23 H17 Cl N2 O4 |
| Smiles: | CC1=C(C(c2ccc(cc2O1)OCC(Nc1ccncc1)=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.91 |
| logD: | 3.89 |
| logSw: | -4.86 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.4 |
| InChI Key: | KOAZWAFWTSVNQV-UHFFFAOYSA-N |