3-({5-[(2-oxo-2-phenylethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
3-({5-[(2-oxo-2-phenylethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)-1,3-benzothiazol-2(3H)-one
3-({5-[(2-oxo-2-phenylethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | G856-2609 |
| Compound Name: | 3-({5-[(2-oxo-2-phenylethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C24 H18 N4 O2 S2 |
| Smiles: | C(c1nnc(n1c1ccccc1)SCC(c1ccccc1)=O)N1C(=O)Sc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.0124 |
| logD: | 4.0124 |
| logSw: | -4.2479 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.78 |
| InChI Key: | DVFHYIFUTLXVDE-UHFFFAOYSA-N |