{amino[1-cyano-2-(4-methylphenyl)-4,6,8-trioxo-5,7-diazaspiro[2.5]octan-1-yl]methylidene}propanedinitrile
Chemical Structure Depiction of
{amino[1-cyano-2-(4-methylphenyl)-4,6,8-trioxo-5,7-diazaspiro[2.5]octan-1-yl]methylidene}propanedinitrile
{amino[1-cyano-2-(4-methylphenyl)-4,6,8-trioxo-5,7-diazaspiro[2.5]octan-1-yl]methylidene}propanedinitrile
Compound characteristics
| Compound ID: | 8020-6724 |
| Compound Name: | {amino[1-cyano-2-(4-methylphenyl)-4,6,8-trioxo-5,7-diazaspiro[2.5]octan-1-yl]methylidene}propanedinitrile |
| Molecular Weight: | 360.33 |
| Molecular Formula: | C18 H12 N6 O3 |
| Smiles: | Cc1ccc(cc1)C1C(C#N)(C(=C(C#N)C#N)N)C12C(NC(NC2=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.6232 |
| logD: | -0.1274 |
| logSw: | -1.8111 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 135.205 |
| InChI Key: | ROEGQUKFWBLYKD-UHFFFAOYSA-N |