6-amino-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-3-propyl-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-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | 8010-3333 |
| Compound Name: | 6-amino-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 369.33 |
| Molecular Formula: | C17 H15 N5 O5 |
| Smiles: | CCCc1c2C(C(C#N)=C(N)Oc2[nH]n1)c1cc2c(cc1[N+]([O-])=O)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2706 |
| logD: | 2.2706 |
| logSw: | -2.6372 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 121.436 |
| InChI Key: | LCJZZQJABUFWIN-AWEZNQCLSA-N |