{amino[1-cyano-2-(3-nitrophenyl)-4,6,8-trioxo-5,7-diazaspiro[2.5]octan-1-yl]methylidene}propanedinitrile
Chemical Structure Depiction of
{amino[1-cyano-2-(3-nitrophenyl)-4,6,8-trioxo-5,7-diazaspiro[2.5]octan-1-yl]methylidene}propanedinitrile
{amino[1-cyano-2-(3-nitrophenyl)-4,6,8-trioxo-5,7-diazaspiro[2.5]octan-1-yl]methylidene}propanedinitrile
Compound characteristics
| Compound ID: | 8020-6723 |
| Compound Name: | {amino[1-cyano-2-(3-nitrophenyl)-4,6,8-trioxo-5,7-diazaspiro[2.5]octan-1-yl]methylidene}propanedinitrile |
| Molecular Weight: | 391.3 |
| Molecular Formula: | C17 H9 N7 O5 |
| Smiles: | C(C(C#N)=C(C1(C#N)C(c2cccc(c2)[N+]([O-])=O)C12C(NC(NC2=O)=O)=O)N)#N |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.0418 |
| logD: | -0.7088 |
| logSw: | -2.2265 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 168.586 |
| InChI Key: | IOSVNHSAHKWGOI-UHFFFAOYSA-N |