6-amino-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | 8015-0700 |
| Compound Name: | 6-amino-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 403.35 |
| Molecular Formula: | C20 H13 N5 O5 |
| Smiles: | C1Oc2cc(C3C(C#N)=C(N)Oc4c3c(c3ccccc3)n[nH]4)c(cc2O1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5938 |
| logD: | 2.5937 |
| logSw: | -3.2618 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 120.669 |
| InChI Key: | DIKVNLKABHQPLJ-INIZCTEOSA-N |