methyl 4-[6-amino-3-(2H-1,3-benzodioxol-5-yl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate
Chemical Structure Depiction of
methyl 4-[6-amino-3-(2H-1,3-benzodioxol-5-yl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate
methyl 4-[6-amino-3-(2H-1,3-benzodioxol-5-yl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate
Compound characteristics
| Compound ID: | 3455-2075 |
| Compound Name: | methyl 4-[6-amino-3-(2H-1,3-benzodioxol-5-yl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate |
| Molecular Weight: | 416.39 |
| Molecular Formula: | C22 H16 N4 O5 |
| Smiles: | COC(c1ccc(cc1)C1C(C#N)=C(N)Oc2c1c(c1ccc3c(c1)OCO3)n[nH]2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0343 |
| logD: | 3.0343 |
| logSw: | -3.3804 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.762 |
| InChI Key: | WWXIVIAAWGGMSI-KRWDZBQOSA-N |