2'-amino-1-(hydroxymethyl)-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c][1]benzopyran]-3'-carbonitrile
Chemical Structure Depiction of
2'-amino-1-(hydroxymethyl)-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c][1]benzopyran]-3'-carbonitrile
2'-amino-1-(hydroxymethyl)-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c][1]benzopyran]-3'-carbonitrile
Compound characteristics
| Compound ID: | Y020-1838 |
| Compound Name: | 2'-amino-1-(hydroxymethyl)-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c][1]benzopyran]-3'-carbonitrile |
| Molecular Weight: | 387.35 |
| Molecular Formula: | C21 H13 N3 O5 |
| Smiles: | C(N1C(C2(C(C#N)=C(N)OC3=C2C(=O)Oc2ccccc23)c2ccccc12)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3552 |
| logD: | 1.3552 |
| logSw: | -2.1111 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.463 |
| InChI Key: | VAOJSOMQRGLGPU-OAQYLSRUSA-N |