2-[({2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-6-nitro-1,3-benzothiazole
Chemical Structure Depiction of
2-[({2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-6-nitro-1,3-benzothiazole
2-[({2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-6-nitro-1,3-benzothiazole
Compound characteristics
| Compound ID: | V001-5799 |
| Compound Name: | 2-[({2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-6-nitro-1,3-benzothiazole |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C19 H15 N3 O2 S3 |
| Smiles: | Cc1ccc(Cc2nc(CSc3nc4ccc(cc4s3)[N+]([O-])=O)cs2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.3035 |
| logD: | 6.3035 |
| logSw: | -5.5763 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.154 |
| InChI Key: | MHJVIZHRLKLFQF-UHFFFAOYSA-N |