AC1LL0BK
methyl 2-[[2-[[5-[(3-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 02107070|AG-690/40752090|methyl 2-{[({5-[(3-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate|Methyl 2-[2-({5-[(3-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate|methyl 2-[[2-[[5-[(3-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C25H22ClN5O3S |
|---|---|
| Molecular Weight | 507.1132 g/mol |
| LogP | 5.0502 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 507.1132 |
| Monoisotopic Mass | 507.1132 |
| Heavy Atoms | 35 |
| Complexity | 1329.6991 |
Chemical Identifiers
| CAS Number | 5131-29-3 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC4=CC(=CC=C4)Cl |
Product Overview
AC1LL0BK (CAS 5131-29-3), with molecular formula C25H22ClN5O3S and molecular weight 507.1132 g/mol. IUPAC: methyl 2-[[2-[[5-[(3-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
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