2'-amino-4-bromo-5-methyl-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-4-bromo-5-methyl-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c][1]benzopyran]-3'-carbonitrile
2'-amino-4-bromo-5-methyl-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c][1]benzopyran]-3'-carbonitrile
Compound characteristics
| Compound ID: | 8016-7045 |
| Compound Name: | 2'-amino-4-bromo-5-methyl-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c][1]benzopyran]-3'-carbonitrile |
| Molecular Weight: | 450.25 |
| Molecular Formula: | C21 H12 Br N3 O4 |
| Smiles: | Cc1ccc2c(c1[Br])C1(C(C#N)=C(N)OC3=C1C(=O)Oc1ccccc13)C(N2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1167 |
| logD: | 3.1156 |
| logSw: | -3.5869 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.943 |
| InChI Key: | IMKGWHWVFQAODT-NRFANRHFSA-N |