2-(3-ethynylphenyl)-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(3-ethynylphenyl)-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1H-isoindole-1,3(2H)-dione
2-(3-ethynylphenyl)-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8007-8975 |
| Compound Name: | 2-(3-ethynylphenyl)-5-(4-oxo-4H-3,1-benzoxazin-2-yl)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 392.37 |
| Molecular Formula: | C24 H12 N2 O4 |
| Smiles: | C#Cc1cccc(c1)N1C(c2ccc(cc2C1=O)C1=Nc2ccccc2C(=O)O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6269 |
| logD: | 3.6269 |
| logSw: | -4.1311 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.827 |
| InChI Key: | AMVNUCYNSZCWMN-UHFFFAOYSA-N |