4-[6-amino-5-cyano-3-(propan-2-yl)-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-(propan-2-yl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxy-6-nitrophenyl thiophene-2-carboxylate
4-[6-amino-5-cyano-3-(propan-2-yl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxy-6-nitrophenyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8011-9075 |
| Compound Name: | 4-[6-amino-5-cyano-3-(propan-2-yl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]-2-ethoxy-6-nitrophenyl thiophene-2-carboxylate |
| Molecular Weight: | 495.51 |
| Molecular Formula: | C23 H21 N5 O6 S |
| Smiles: | CCOc1cc(cc(c1OC(c1cccs1)=O)[N+]([O-])=O)C1C(C#N)=C(N)Oc2c1c(C(C)C)n[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0303 |
| logD: | 4.0303 |
| logSw: | -4.2981 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 132.605 |
| InChI Key: | COBLNTNANJYMQD-KRWDZBQOSA-N |