4-{[2-(4-methoxyphenoxy)ethyl]amino}-3-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-{[2-(4-methoxyphenoxy)ethyl]amino}-3-nitro-2H-1-benzopyran-2-one
4-{[2-(4-methoxyphenoxy)ethyl]amino}-3-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8008-6405 |
| Compound Name: | 4-{[2-(4-methoxyphenoxy)ethyl]amino}-3-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 356.33 |
| Molecular Formula: | C18 H16 N2 O6 |
| Smiles: | COc1ccc(cc1)OCCNC1=C(C(=O)Oc2ccccc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0283 |
| logD: | 2.8372 |
| logSw: | -3.6459 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.696 |
| InChI Key: | YXAWWCFMHKYPLL-UHFFFAOYSA-N |