6'-amino-3'-(2H-1,3-benzodioxol-5-yl)-4-bromo-5-methyl-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Chemical Structure Depiction of
6'-amino-3'-(2H-1,3-benzodioxol-5-yl)-4-bromo-5-methyl-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
6'-amino-3'-(2H-1,3-benzodioxol-5-yl)-4-bromo-5-methyl-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Compound characteristics
| Compound ID: | 8012-0687 |
| Compound Name: | 6'-amino-3'-(2H-1,3-benzodioxol-5-yl)-4-bromo-5-methyl-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile |
| Molecular Weight: | 492.29 |
| Molecular Formula: | C22 H14 Br N5 O4 |
| Smiles: | Cc1ccc2c(c1[Br])C1(C(C#N)=C(N)Oc3c1c(c1ccc4c(c1)OCO4)n[nH]3)C(N2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4341 |
| logD: | 3.4293 |
| logSw: | -3.9056 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 112.832 |
| InChI Key: | BHPKIIGRTCYGHM-QFIPXVFZSA-N |