6-amino-3,4-bis(2H-1,3-benzodioxol-5-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-3,4-bis(2H-1,3-benzodioxol-5-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-3,4-bis(2H-1,3-benzodioxol-5-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | 4333-4110 |
| Compound Name: | 6-amino-3,4-bis(2H-1,3-benzodioxol-5-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 402.36 |
| Molecular Formula: | C21 H14 N4 O5 |
| Smiles: | C1Oc2ccc(cc2O1)C1C(C#N)=C(N)Oc2c1c(c1ccc3c(c1)OCO3)n[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8966 |
| logD: | 2.8965 |
| logSw: | -3.2839 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.704 |
| InChI Key: | UJERYHZBBJIACD-QGZVFWFLSA-N |