4-[6-amino-3-(2H-1,3-benzodioxol-5-yl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl 2-chlorobenzoate
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-ethoxyphenyl 2-chlorobenzoate
4-[6-amino-3-(2H-1,3-benzodioxol-5-yl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl 2-chlorobenzoate
Compound characteristics
| Compound ID: | 3394-0383 |
| Compound Name: | 4-[6-amino-3-(2H-1,3-benzodioxol-5-yl)-5-cyano-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl 2-chlorobenzoate |
| Molecular Weight: | 556.96 |
| Molecular Formula: | C29 H21 Cl N4 O6 |
| Smiles: | CCOc1cc(ccc1OC(c1ccccc1[Cl])=O)C1C(C#N)=C(N)Oc2c1c(c1ccc3c(c1)OCO3)n[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9403 |
| logD: | 4.9403 |
| logSw: | -4.9176 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 115.263 |
| InChI Key: | ZCOKICOFZKKTJQ-DEOSSOPVSA-N |