3-{3-[4-(dimethylamino)phenyl]prop-2-enoyl}-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-{3-[4-(dimethylamino)phenyl]prop-2-enoyl}-6-nitro-2H-1-benzopyran-2-one
3-{3-[4-(dimethylamino)phenyl]prop-2-enoyl}-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K229-0487 |
| Compound Name: | 3-{3-[4-(dimethylamino)phenyl]prop-2-enoyl}-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 364.36 |
| Molecular Formula: | C20 H16 N2 O5 |
| Smiles: | CN(C)c1ccc(/C=C/C(C2=Cc3cc(ccc3OC2=O)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6856 |
| logD: | 3.6855 |
| logSw: | -4.1899 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.322 |
| InChI Key: | FSNAXQRQMVCBKT-UHFFFAOYSA-N |