3-[6-amino-3-(2H-1,3-benzodioxol-5-yl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl thiophene-2-carboxylate
Chemical Structure Depiction of
3-[6-amino-3-(2H-1,3-benzodioxol-5-yl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl thiophene-2-carboxylate
3-[6-amino-3-(2H-1,3-benzodioxol-5-yl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 3394-0367 |
| Compound Name: | 3-[6-amino-3-(2H-1,3-benzodioxol-5-yl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl thiophene-2-carboxylate |
| Molecular Weight: | 484.49 |
| Molecular Formula: | C25 H16 N4 O5 S |
| Smiles: | C1Oc2ccc(cc2O1)c1c2C(C(C#N)=C(N)Oc2[nH]n1)c1cccc(c1)OC(c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9397 |
| logD: | 3.9397 |
| logSw: | -4.3818 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.985 |
| InChI Key: | QHWNSKCNTSXAOA-FQEVSTJZSA-N |