methyl 4-[2-({6-[({4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-({6-[({4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamido]benzoate
methyl 4-[2-({6-[({4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | 8008-5841 |
| Compound Name: | methyl 4-[2-({6-[({4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 715.85 |
| Molecular Formula: | C33 H25 N5 O6 S4 |
| Smiles: | CCOc1ccc2c(c1)sc(n2)Sc1ccc(/C=N/c2ccc3c(c2)sc(n3)SCC(Nc2ccc(cc2)C(=O)OC)=O)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 8.9724 |
| logD: | 8.9723 |
| logSw: | -5.6205 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.513 |
| InChI Key: | KEWFQJGIFVATAP-UHFFFAOYSA-N |