N-[2-(3,4-dimethoxyphenyl)ethyl]-7-nitro-2,1,3-benzoxadiazol-4-amine
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-nitro-2,1,3-benzoxadiazol-4-amine
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-nitro-2,1,3-benzoxadiazol-4-amine
Compound characteristics
| Compound ID: | 8016-6719 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-7-nitro-2,1,3-benzoxadiazol-4-amine |
| Molecular Weight: | 344.32 |
| Molecular Formula: | C16 H16 N4 O5 |
| Smiles: | COc1ccc(CCNc2ccc(c3c2non3)[N+]([O-])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.6864 |
| logD: | 2.6864 |
| logSw: | -3.0534 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.818 |
| InChI Key: | XBAHVDMSECYOPR-UHFFFAOYSA-N |