methyl 4-[2-({6-[({4-[(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-[(1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamido]benzoate
methyl 4-[2-({6-[({4-[(1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | 8008-8589 |
| Compound Name: | methyl 4-[2-({6-[({4-[(1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 671.79 |
| Molecular Formula: | C31 H21 N5 O5 S4 |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nc2ccc(cc2s1)/N=C/c1ccc(c(c1)[N+]([O-])=O)Sc1nc2ccccc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 8.5283 |
| logD: | 8.5282 |
| logSw: | -5.6655 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.39 |
| InChI Key: | IDTSQVXTHFBCNZ-UHFFFAOYSA-N |