2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3,4,4-tricarbonitrile
Chemical Structure Depiction of
2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3,4,4-tricarbonitrile
2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3,4,4-tricarbonitrile
Compound characteristics
| Compound ID: | 8010-9392 |
| Compound Name: | 2-amino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3,4,4-tricarbonitrile |
| Molecular Weight: | 268.27 |
| Molecular Formula: | C14 H12 N4 O2 |
| Smiles: | CC1(C)CC2=C(C(C1)=O)C(C#N)(C#N)C(C#N)=C(N)O2 |
| Stereo: | ACHIRAL |
| logP: | 0.642 |
| logD: | 0.642 |
| logSw: | -0.5245 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.986 |
| InChI Key: | GJZDFWFEGWLQRT-UHFFFAOYSA-N |