6-amino-3-methyl-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-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-3-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | 4333-4169 |
| Compound Name: | 6-amino-3-methyl-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 341.28 |
| Molecular Formula: | C15 H11 N5 O5 |
| Smiles: | Cc1c2C(C(C#N)=C(N)Oc2[nH]n1)c1cc2c(cc1[N+]([O-])=O)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2254 |
| logD: | 1.2254 |
| logSw: | -1.9878 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 120.747 |
| InChI Key: | FDIBZOBQVDHSNV-ZDUSSCGKSA-N |