3-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
3-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2(3H)-one
3-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | G856-2610 |
| Compound Name: | 3-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 493 |
| Molecular Formula: | C24 H17 Cl N4 O2 S2 |
| Smiles: | C(c1nnc(n1c1ccccc1)SCC(c1ccc(cc1)[Cl])=O)N1C(=O)Sc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.7121 |
| logD: | 4.7121 |
| logSw: | -5.0207 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.78 |
| InChI Key: | BZBVHNYZAOSWTD-UHFFFAOYSA-N |