6-amino-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | 8012-0188 |
| Compound Name: | 6-amino-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 419.4 |
| Molecular Formula: | C21 H17 N5 O5 |
| Smiles: | CCOc1cc(cc(c1O)[N+]([O-])=O)C1C(C#N)=C(N)Oc2c1c(c1ccccc1)n[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.125 |
| logD: | 2.6193 |
| logSw: | -3.5008 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 126.243 |
| InChI Key: | RBRBUHNDKVKCSX-INIZCTEOSA-N |