N-(dibenzo[b,d]furan-3-yl)-2-({6-[({4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(dibenzo[b,d]furan-3-yl)-2-({6-[({4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide
N-(dibenzo[b,d]furan-3-yl)-2-({6-[({4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8008-1939 |
| Compound Name: | N-(dibenzo[b,d]furan-3-yl)-2-({6-[({4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)amino]-1,3-benzothiazol-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 650.76 |
| Molecular Formula: | C32 H22 N6 O4 S3 |
| Smiles: | Cn1ccnc1Sc1ccc(/C=N/c2ccc3c(c2)sc(n3)SCC(Nc2ccc3c4ccccc4oc3c2)=O)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 8.0821 |
| logD: | 8.0789 |
| logSw: | -5.897 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.968 |
| InChI Key: | MJRODSWTDVWYIN-UHFFFAOYSA-N |