4-[6-amino-3-(2H-1,3-benzodioxol-5-yl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenyl thiophene-2-carboxylate
Chemical Structure Depiction of
4-[6-amino-3-(2H-1,3-benzodioxol-5-yl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenyl thiophene-2-carboxylate
4-[6-amino-3-(2H-1,3-benzodioxol-5-yl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 3394-0380 |
| Compound Name: | 4-[6-amino-3-(2H-1,3-benzodioxol-5-yl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-methoxyphenyl thiophene-2-carboxylate |
| Molecular Weight: | 514.52 |
| Molecular Formula: | C26 H18 N4 O6 S |
| Smiles: | COc1cc(ccc1OC(c1cccs1)=O)C1C(C#N)=C(N)Oc2c1c(c1ccc3c(c1)OCO3)n[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0125 |
| logD: | 4.0124 |
| logSw: | -4.4503 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 116.702 |
| InChI Key: | NWILRENLWDWJPL-NRFANRHFSA-N |