2-amino-1',7-dimethyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carbonitrile
Chemical Structure Depiction of
2-amino-1',7-dimethyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carbonitrile
2-amino-1',7-dimethyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carbonitrile
Compound characteristics
| Compound ID: | 8015-4145 |
| Compound Name: | 2-amino-1',7-dimethyl-2',5-dioxo-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carbonitrile |
| Molecular Weight: | 335.36 |
| Molecular Formula: | C19 H17 N3 O3 |
| Smiles: | CC1CC2=C(C(C1)=O)C1(C(C#N)=C(N)O2)C(N(C)c2ccccc12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8517 |
| logD: | 1.8517 |
| logSw: | -2.626 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.108 |
| InChI Key: | HGGUIKFLKALPBS-UHFFFAOYSA-N |