2-(3-{[(4-nitrophenyl)methyl]sulfanyl}-5-phenyl-1H-1,2,4-triazol-1-yl)-1,3-benzothiazole
Chemical Structure Depiction of
2-(3-{[(4-nitrophenyl)methyl]sulfanyl}-5-phenyl-1H-1,2,4-triazol-1-yl)-1,3-benzothiazole
2-(3-{[(4-nitrophenyl)methyl]sulfanyl}-5-phenyl-1H-1,2,4-triazol-1-yl)-1,3-benzothiazole
Compound characteristics
| Compound ID: | 6186-3503 |
| Compound Name: | 2-(3-{[(4-nitrophenyl)methyl]sulfanyl}-5-phenyl-1H-1,2,4-triazol-1-yl)-1,3-benzothiazole |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C22 H15 N5 O2 S2 |
| Smiles: | C(c1ccc(cc1)[N+]([O-])=O)Sc1nc(c2ccccc2)n(c2nc3ccccc3s2)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.3797 |
| logD: | 6.3796 |
| logSw: | -6.2013 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.257 |
| InChI Key: | SKSLMQACAVYYGT-UHFFFAOYSA-N |