N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({6-[({4-[(5-methyl-1,3,4-thiadiazol-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-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({6-[({4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8008-8596 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({6-[({4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 666.82 |
| Molecular Formula: | C29 H26 N6 O5 S4 |
| Smiles: | Cc1nnc(Sc2ccc(/C=N/c3ccc4c(c3)sc(n4)SCC(NCCc3ccc(c(c3)OC)OC)=O)cc2[N+]([O-])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.3377 |
| logD: | 5.3377 |
| logSw: | -5.3215 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.23 |
| InChI Key: | FYKNLDFJHFWCSJ-UHFFFAOYSA-N |