N-(4-methoxy-2-nitrophenyl)-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-(4-methoxy-2-nitrophenyl)-2-({6-[({4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide
N-(4-methoxy-2-nitrophenyl)-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: | 8008-8712 |
| Compound Name: | N-(4-methoxy-2-nitrophenyl)-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: | 653.74 |
| Molecular Formula: | C26 H19 N7 O6 S4 |
| Smiles: | Cc1nnc(Sc2ccc(/C=N/c3ccc4c(c3)sc(n4)SCC(Nc3ccc(cc3[N+]([O-])=O)OC)=O)cc2[N+]([O-])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.5091 |
| logD: | 6.4852 |
| logSw: | -5.6058 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 135.732 |
| InChI Key: | GRBPPVYGCOIWHK-UHFFFAOYSA-N |