4-[6-amino-5-cyano-3-(4-methylphenyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl benzoate
Chemical Structure Depiction of
4-[6-amino-5-cyano-3-(4-methylphenyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl benzoate
4-[6-amino-5-cyano-3-(4-methylphenyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl benzoate
Compound characteristics
| Compound ID: | 4036-0523 |
| Compound Name: | 4-[6-amino-5-cyano-3-(4-methylphenyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxyphenyl benzoate |
| Molecular Weight: | 492.53 |
| Molecular Formula: | C29 H24 N4 O4 |
| Smiles: | CCOc1cc(ccc1OC(c1ccccc1)=O)C1C(C#N)=C(N)Oc2c1c(c1ccc(C)cc1)n[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5157 |
| logD: | 4.5157 |
| logSw: | -4.5104 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.148 |
| InChI Key: | OZANVJKSRHTCEO-DEOSSOPVSA-N |