2-amino-7-(4-tert-butylphenyl)-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carbonitrile
Chemical Structure Depiction of
2-amino-7-(4-tert-butylphenyl)-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carbonitrile
2-amino-7-(4-tert-butylphenyl)-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carbonitrile
Compound characteristics
| Compound ID: | Y020-6398 |
| Compound Name: | 2-amino-7-(4-tert-butylphenyl)-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carbonitrile |
| Molecular Weight: | 439.51 |
| Molecular Formula: | C27 H25 N3 O3 |
| Smiles: | CC(C)(C)c1ccc(cc1)C1CC2=C(C(C1)=O)C1(C(C#N)=C(N)O2)C(Nc2ccccc12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8759 |
| logD: | 4.8759 |
| logSw: | -4.6385 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.574 |
| InChI Key: | JGUXMOWMZZIDSI-UHFFFAOYSA-N |