3-{[(4-chlorophenyl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Chemical Structure Depiction of
3-{[(4-chlorophenyl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole
3-{[(4-chlorophenyl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Compound characteristics
| Compound ID: | Y020-0287 |
| Compound Name: | 3-{[(4-chlorophenyl)methyl]sulfanyl}[1,2,4]triazolo[3,4-b][1,3]benzothiazole |
| Molecular Weight: | 331.84 |
| Molecular Formula: | C15 H10 Cl N3 S2 |
| Smiles: | C(c1ccc(cc1)[Cl])Sc1nnc2n1c1ccccc1s2 |
| Stereo: | ACHIRAL |
| logP: | 4.3503 |
| logD: | 4.3503 |
| logSw: | -4.6546 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 22.3067 |
| InChI Key: | LKFLRYCHHAGFRK-UHFFFAOYSA-N |