methyl 4-[6-amino-5-cyano-3-(3-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate
Chemical Structure Depiction of
methyl 4-[6-amino-5-cyano-3-(3-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate
methyl 4-[6-amino-5-cyano-3-(3-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate
Compound characteristics
| Compound ID: | 3455-2013 |
| Compound Name: | methyl 4-[6-amino-5-cyano-3-(3-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazol-4-yl]benzoate |
| Molecular Weight: | 417.38 |
| Molecular Formula: | C21 H15 N5 O5 |
| Smiles: | COC(c1ccc(cc1)C1C(C#N)=C(N)Oc2c1c(c1cccc(c1)[N+]([O-])=O)n[nH]2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0577 |
| logD: | 3.0577 |
| logSw: | -3.5289 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 125.029 |
| InChI Key: | LOOCTDNMYBCCJL-INIZCTEOSA-N |