3-({4-(2-methylphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
3-({4-(2-methylphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-1,3-benzothiazol-2(3H)-one
3-({4-(2-methylphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | G856-2613 |
| Compound Name: | 3-({4-(2-methylphenyl)-5-[(2-oxo-2-phenylethyl)sulfanyl]-4H-1,2,4-triazol-3-yl}methyl)-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 472.59 |
| Molecular Formula: | C25 H20 N4 O2 S2 |
| Smiles: | Cc1ccccc1n1c(CN2C(=O)Sc3ccccc23)nnc1SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.493 |
| logD: | 4.493 |
| logSw: | -4.2658 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.479 |
| InChI Key: | HWGBJNNETKHZQH-UHFFFAOYSA-N |