4-methyl-N-[4-(methylamino)-2-oxo-2H-1-benzopyran-3-yl]-3-nitrobenzamide
Chemical Structure Depiction of
4-methyl-N-[4-(methylamino)-2-oxo-2H-1-benzopyran-3-yl]-3-nitrobenzamide
4-methyl-N-[4-(methylamino)-2-oxo-2H-1-benzopyran-3-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | C301-5827 |
| Compound Name: | 4-methyl-N-[4-(methylamino)-2-oxo-2H-1-benzopyran-3-yl]-3-nitrobenzamide |
| Molecular Weight: | 353.33 |
| Molecular Formula: | C18 H15 N3 O5 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(NC1=C(c2ccccc2OC1=O)NC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3207 |
| logD: | 0.7076 |
| logSw: | -3.0296 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.386 |
| InChI Key: | IMYAAKFGZPVUTE-UHFFFAOYSA-N |