6-amino-3-tert-butyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-3-tert-butyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-3-tert-butyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | 3448-3976 |
| Compound Name: | 6-amino-3-tert-butyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 383.36 |
| Molecular Formula: | C18 H17 N5 O5 |
| Smiles: | CC(C)(C)c1c2C(C(C#N)=C(N)Oc2[nH]n1)c1cc2c(cc1[N+]([O-])=O)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5861 |
| logD: | 2.5861 |
| logSw: | -2.9756 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 120.941 |
| InChI Key: | NONGFUJVVQYFIB-ZDUSSCGKSA-N |