2,2'-[but-1-en-3-yne-1,4-diyldi(4,1-phenylene)]bis(1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid)
Chemical Structure Depiction of
2,2'-[but-1-en-3-yne-1,4-diyldi(4,1-phenylene)]bis(1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid)
2,2'-[but-1-en-3-yne-1,4-diyldi(4,1-phenylene)]bis(1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid)
Compound characteristics
| Compound ID: | 2036-1378 |
| Compound Name: | 2,2'-[but-1-en-3-yne-1,4-diyldi(4,1-phenylene)]bis(1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid) |
| Molecular Weight: | 582.53 |
| Molecular Formula: | C34 H18 N2 O8 |
| Smiles: | C(=C/c1ccc(cc1)N1C(c2ccc(cc2C1=O)C(O)=O)=O)\C#Cc1ccc(cc1)N1C(c2ccc(cc2C1=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0477 |
| logD: | 2.0701 |
| logSw: | -5.7903 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.066 |
| InChI Key: | USVDOOSSMUTTDX-UHFFFAOYSA-N |