5-acetyl-2-amino-4-(2-chloro-5-nitrophenyl)-6-methyl-4H-pyran-3-carbonitrile
Chemical Structure Depiction of
5-acetyl-2-amino-4-(2-chloro-5-nitrophenyl)-6-methyl-4H-pyran-3-carbonitrile
5-acetyl-2-amino-4-(2-chloro-5-nitrophenyl)-6-methyl-4H-pyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8006-4471 |
| Compound Name: | 5-acetyl-2-amino-4-(2-chloro-5-nitrophenyl)-6-methyl-4H-pyran-3-carbonitrile |
| Molecular Weight: | 333.73 |
| Molecular Formula: | C15 H12 Cl N3 O4 |
| Smiles: | CC1=C(C(C(C#N)=C(N)O1)c1cc(ccc1[Cl])[N+]([O-])=O)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.314 |
| logD: | 2.314 |
| logSw: | -3.2061 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.901 |
| InChI Key: | DUXRWCAYEDSCKM-CQSZACIVSA-N |