methyl 2-[6-amino-5-cyano-4-(2,4-dichlorophenyl)-3-nitro-4H-pyran-2-yl]benzoate
Chemical Structure Depiction of
methyl 2-[6-amino-5-cyano-4-(2,4-dichlorophenyl)-3-nitro-4H-pyran-2-yl]benzoate
methyl 2-[6-amino-5-cyano-4-(2,4-dichlorophenyl)-3-nitro-4H-pyran-2-yl]benzoate
Compound characteristics
| Compound ID: | 8005-0029 |
| Compound Name: | methyl 2-[6-amino-5-cyano-4-(2,4-dichlorophenyl)-3-nitro-4H-pyran-2-yl]benzoate |
| Molecular Weight: | 446.24 |
| Molecular Formula: | C20 H13 Cl2 N3 O5 |
| Smiles: | COC(c1ccccc1C1=C(C(C(C#N)=C(N)O1)c1ccc(cc1[Cl])[Cl])[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2282 |
| logD: | 4.2282 |
| logSw: | -4.6521 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.847 |
| InChI Key: | OOLNSOJPMYUDHE-INIZCTEOSA-N |