ChemDiv3_010331
3-[[4-(3-chlorophenyl)-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one
Also Known As: ChemDiv3_010331|BRD-K85245245-001-01-7|F0665-0698|3-{[4-(3-chlorophenyl)-5-{[(pyridin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-2,3-dihydro-1,3-benzothiazol-2-one|3-((4-(3-chlorophenyl)-5-((pyridin-2-ylmethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one|3-[[4-(3-chlorophenyl)-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one
| Molecular Formula | C22H16ClN5OS2 |
|---|---|
| Molecular Weight | 465.0485 g/mol |
| LogP | 5.0327 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.0485 |
| Monoisotopic Mass | 465.0485 |
| Heavy Atoms | 31 |
| Complexity | 1410.4841 |
Chemical Identifiers
| CAS Number | 847403-59-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)S2)CC3=NN=C(N3C4=CC(=CC=C4)Cl)SCC5=CC=CC=N5 |
Product Overview
ChemDiv3_010331 (CAS 847403-59-2), with molecular formula C22H16ClN5OS2 and molecular weight 465.0485 g/mol. IUPAC: 3-[[4-(3-chlorophenyl)-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one.
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