4-{[(4-methoxyphenyl)methyl]amino}-3-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-{[(4-methoxyphenyl)methyl]amino}-3-nitro-2H-1-benzopyran-2-one
4-{[(4-methoxyphenyl)methyl]amino}-3-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8008-3347 |
| Compound Name: | 4-{[(4-methoxyphenyl)methyl]amino}-3-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 326.31 |
| Molecular Formula: | C17 H14 N2 O5 |
| Smiles: | COc1ccc(CNC2=C(C(=O)Oc3ccccc23)[N+]([O-])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4645 |
| logD: | 1.8858 |
| logSw: | -2.9799 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.437 |
| InChI Key: | YJULKECCLQNYTC-UHFFFAOYSA-N |