6-nitro-2-[({2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-1,3-benzothiazole
Chemical Structure Depiction of
6-nitro-2-[({2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-1,3-benzothiazole
6-nitro-2-[({2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-1,3-benzothiazole
Compound characteristics
| Compound ID: | V014-7245 |
| Compound Name: | 6-nitro-2-[({2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}methyl)sulfanyl]-1,3-benzothiazole |
| Molecular Weight: | 453.48 |
| Molecular Formula: | C18 H10 F3 N3 O2 S3 |
| Smiles: | C(c1csc(c2ccc(cc2)C(F)(F)F)n1)Sc1nc2ccc(cc2s1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.8348 |
| logD: | 6.8348 |
| logSw: | -6.3649 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.659 |
| InChI Key: | IXSQJQHPLNVMNM-UHFFFAOYSA-N |