4-{[2-(4-ethylphenoxy)ethyl]amino}-3-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-{[2-(4-ethylphenoxy)ethyl]amino}-3-nitro-2H-1-benzopyran-2-one
4-{[2-(4-ethylphenoxy)ethyl]amino}-3-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 8009-5983 |
| Compound Name: | 4-{[2-(4-ethylphenoxy)ethyl]amino}-3-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 354.36 |
| Molecular Formula: | C19 H18 N2 O5 |
| Smiles: | CCc1ccc(cc1)OCCNC1=C(C(=O)Oc2ccccc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9765 |
| logD: | 3.7854 |
| logSw: | -4.2168 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.153 |
| InChI Key: | DWMYALNTYIWGGH-UHFFFAOYSA-N |