N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]aniline
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]aniline
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]aniline
Compound characteristics
| Compound ID: | 8012-1116 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]aniline |
| Molecular Weight: | 564.62 |
| Molecular Formula: | C27 H28 N6 O6 S |
| Smiles: | COc1ccc(CCNc2cc(ccc2[N+]([O-])=O)N2CCN(CC2)c2nc3ccc(cc3s2)[N+]([O-])=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.2401 |
| logD: | 5.2401 |
| logSw: | -5.2024 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.588 |
| InChI Key: | BTDKTRCBFJBHMB-UHFFFAOYSA-N |