2-({6-[({4-[(1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
2-({6-[({4-[(1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide
2-({6-[({4-[(1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide
Compound characteristics
Compound ID: | 8008-9613 |
Compound Name: | 2-({6-[({4-[(1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)-N-(2-phenylethyl)acetamide |
Molecular Weight: | 641.81 |
Molecular Formula: | C31 H23 N5 O3 S4 |
Smiles: | C(CNC(CSc1nc2ccc(cc2s1)/N=C/c1ccc(c(c1)[N+]([O-])=O)Sc1nc2ccccc2s1)=O)c1ccccc1 |
Stereo: | ACHIRAL |
logP: | 7.8936 |
logD: | 7.8935 |
logSw: | -6.0954 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 83.379 |
InChI Key: | AKQMEPLPUXMPDH-UHFFFAOYSA-N |