{amino[2-amino-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-yl]methylidene}propanedinitrile
Chemical Structure Depiction of
{amino[2-amino-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-yl]methylidene}propanedinitrile
{amino[2-amino-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-yl]methylidene}propanedinitrile
Compound characteristics
| Compound ID: | 8020-7808 |
| Compound Name: | {amino[2-amino-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-1-benzopyran-3-yl]methylidene}propanedinitrile |
| Molecular Weight: | 450.49 |
| Molecular Formula: | C24 H26 N4 O5 |
| Smiles: | CC1(C)CC2=C(C(C(C(=C(C#N)C#N)N)=C(N)O2)c2cc(c(c(c2)OC)OC)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.663 |
| logD: | 1.663 |
| logSw: | -2.0172 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 120.778 |
| InChI Key: | QQNGOYKDELWEJA-GOSISDBHSA-N |