N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({6-[({4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({6-[({4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({6-[({4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8008-1814 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({6-[({4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 745.92 |
| Molecular Formula: | C35 H31 N5 O6 S4 |
| Smiles: | CCOc1ccc2c(c1)sc(n2)Sc1ccc(/C=N/c2ccc3c(c2)sc(n3)SCC(NCCc2ccc(c(c2)OC)OC)=O)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 7.8547 |
| logD: | 7.8547 |
| logSw: | -5.6545 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.764 |
| InChI Key: | HGVYFQJHPUDYDK-UHFFFAOYSA-N |