2-amino-4-(4-chloro-3-nitrophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-chloro-3-nitrophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
2-amino-4-(4-chloro-3-nitrophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile
Compound characteristics
| Compound ID: | 3132-0050 |
| Compound Name: | 2-amino-4-(4-chloro-3-nitrophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carbonitrile |
| Molecular Weight: | 359.72 |
| Molecular Formula: | C16 H10 Cl N3 O5 |
| Smiles: | CC1=CC2=C(C(C(C#N)=C(N)O2)c2ccc(c(c2)[N+]([O-])=O)[Cl])C(=O)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9076 |
| logD: | 1.9076 |
| logSw: | -3.0031 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.969 |
| InChI Key: | AURMXPOPZYMGQV-CYBMUJFWSA-N |