6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(2-chlorophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(2-chlorophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(2-chlorophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | 3394-0307 |
| Compound Name: | 6-amino-3-(2H-1,3-benzodioxol-5-yl)-4-(2-chlorophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 392.8 |
| Molecular Formula: | C20 H13 Cl N4 O3 |
| Smiles: | C1Oc2ccc(cc2O1)c1c2C(C(C#N)=C(N)Oc2[nH]n1)c1ccccc1[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6578 |
| logD: | 3.6578 |
| logSw: | -4.4078 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.589 |
| InChI Key: | SQAQXOIPZSJEKP-INIZCTEOSA-N |