2,2'-[but-1-en-3-yne-1,4-diyldi(4,1-phenylene)]bis(5-nitro-1H-isoindole-1,3(2H)-dione)
Chemical Structure Depiction of
2,2'-[but-1-en-3-yne-1,4-diyldi(4,1-phenylene)]bis(5-nitro-1H-isoindole-1,3(2H)-dione)
2,2'-[but-1-en-3-yne-1,4-diyldi(4,1-phenylene)]bis(5-nitro-1H-isoindole-1,3(2H)-dione)
Compound characteristics
| Compound ID: | 8003-3898 |
| Compound Name: | 2,2'-[but-1-en-3-yne-1,4-diyldi(4,1-phenylene)]bis(5-nitro-1H-isoindole-1,3(2H)-dione) |
| Molecular Weight: | 584.5 |
| Molecular Formula: | C32 H16 N4 O8 |
| Smiles: | C(=C/c1ccc(cc1)N1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O)\C#Cc1ccc(cc1)N1C(c2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.805 |
| logD: | 5.805 |
| logSw: | -5.9704 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 124.013 |
| InChI Key: | AVMMNBCFYSZOOA-UHFFFAOYSA-N |