N-[4-(ethylamino)-2-oxo-2H-1-benzopyran-3-yl]-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-[4-(ethylamino)-2-oxo-2H-1-benzopyran-3-yl]-4-methyl-3-nitrobenzamide
N-[4-(ethylamino)-2-oxo-2H-1-benzopyran-3-yl]-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | C301-5890 |
| Compound Name: | N-[4-(ethylamino)-2-oxo-2H-1-benzopyran-3-yl]-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 367.36 |
| Molecular Formula: | C19 H17 N3 O5 |
| Smiles: | CCNC1=C(C(=O)Oc2ccccc12)NC(c1ccc(C)c(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6832 |
| logD: | 1.0903 |
| logSw: | -3.3905 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.862 |
| InChI Key: | HFDYPTURDCEWJX-UHFFFAOYSA-N |