4-[6-amino-5-cyano-3-(4-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxy-6-nitrophenyl thiophene-2-carboxylate
Chemical Structure Depiction of
4-[6-amino-5-cyano-3-(4-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxy-6-nitrophenyl thiophene-2-carboxylate
4-[6-amino-5-cyano-3-(4-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxy-6-nitrophenyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8012-0142 |
| Compound Name: | 4-[6-amino-5-cyano-3-(4-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxy-6-nitrophenyl thiophene-2-carboxylate |
| Molecular Weight: | 559.56 |
| Molecular Formula: | C27 H21 N5 O7 S |
| Smiles: | CCOc1cc(cc(c1OC(c1cccs1)=O)[N+]([O-])=O)C1C(C#N)=C(N)Oc2c1c(c1ccc(cc1)OC)n[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1222 |
| logD: | 4.1222 |
| logSw: | -4.4805 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 139.877 |
| InChI Key: | CSCBPVMYQWUXDM-NRFANRHFSA-N |