6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(3,4-diethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(3,4-diethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(3,4-diethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | 8012-3503 |
| Compound Name: | 6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(3,4-diethoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 446.46 |
| Molecular Formula: | C24 H22 N4 O5 |
| Smiles: | CCOc1ccc(cc1OCC)C1C(C#N)=C(N)Oc2c1c(c1ccc3c(c1)OCO3)n[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0896 |
| logD: | 3.0896 |
| logSw: | -3.2627 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.009 |
| InChI Key: | UNMJXCCMJQQSEZ-HXUWFJFHSA-N |