4-[6-amino-5-cyano-3-(3-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl acetate
Chemical Structure Depiction of
4-[6-amino-5-cyano-3-(3-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl acetate
4-[6-amino-5-cyano-3-(3-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl acetate
Compound characteristics
| Compound ID: | 4333-3953 |
| Compound Name: | 4-[6-amino-5-cyano-3-(3-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2,6-dimethoxyphenyl acetate |
| Molecular Weight: | 477.43 |
| Molecular Formula: | C23 H19 N5 O7 |
| Smiles: | CC(=O)Oc1c(cc(cc1OC)C1C(C#N)=C(N)Oc2c1c(c1cccc(c1)[N+]([O-])=O)n[nH]2)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4704 |
| logD: | 2.4703 |
| logSw: | -3.0815 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 140.04 |
| InChI Key: | DCDLPXSFUCHWSR-SFHVURJKSA-N |