2-{[3-(2-methoxyphenoxy)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}-N-[(thiophen-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[3-(2-methoxyphenoxy)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}-N-[(thiophen-2-yl)methyl]acetamide
2-{[3-(2-methoxyphenoxy)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}-N-[(thiophen-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | IB05-4011 |
| Compound Name: | 2-{[3-(2-methoxyphenoxy)-2-methyl-4-oxo-4H-1-benzopyran-7-yl]oxy}-N-[(thiophen-2-yl)methyl]acetamide |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C24 H21 N O6 S |
| Smiles: | CC1=C(C(c2ccc(cc2O1)OCC(NCc1cccs1)=O)=O)Oc1ccccc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.99 |
| logD: | 3.99 |
| logSw: | -5.02 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 117.32 |
| InChI Key: | PVWVBOYALGVGFN-UHFFFAOYSA-N |