3-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-methyl-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-methyl-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2(3H)-one
3-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | G856-2607 |
| Compound Name: | 3-[(5-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 430.93 |
| Molecular Formula: | C19 H15 Cl N4 O2 S2 |
| Smiles: | Cn1c(CN2C(=O)Sc3ccccc23)nnc1SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3736 |
| logD: | 3.3736 |
| logSw: | -3.9433 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.118 |
| InChI Key: | ZCHLILCOYMQADN-UHFFFAOYSA-N |