2-amino-2',5-dioxo-1'-(prop-2-yn-1-yl)-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carbonitrile
Chemical Structure Depiction of
2-amino-2',5-dioxo-1'-(prop-2-yn-1-yl)-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carbonitrile
2-amino-2',5-dioxo-1'-(prop-2-yn-1-yl)-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carbonitrile
Compound characteristics
| Compound ID: | 5066-0317 |
| Compound Name: | 2-amino-2',5-dioxo-1'-(prop-2-yn-1-yl)-1',2',5,6,7,8-hexahydrospiro[[1]benzopyran-4,3'-indole]-3-carbonitrile |
| Molecular Weight: | 345.36 |
| Molecular Formula: | C20 H15 N3 O3 |
| Smiles: | C#CCN1C(C2(C(C#N)=C(N)OC3CCCC(C2=3)=O)c2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7342 |
| logD: | 1.7342 |
| logSw: | -2.6371 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.321 |
| InChI Key: | OXRNHPCAYKVYNC-HXUWFJFHSA-N |