4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-nitro-2H-1-benzopyran-2-one
4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8011-4658 |
| Compound Name: | 4-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 370.36 |
| Molecular Formula: | C19 H18 N2 O6 |
| Smiles: | COc1ccc(CCNC2=C(C(=O)Oc3ccccc23)[N+]([O-])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.1042 |
| logD: | 1.7628 |
| logSw: | -3.0575 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.996 |
| InChI Key: | IINNUHSWUYWCJS-UHFFFAOYSA-N |