AC1MQ0MA
4-[[2,2,2-trichloro-1-[(2-methylbenzoyl)amino]ethyl]carbamothioylamino]benzoic acid
Also Known As: CBDivE_002754|4-(3-(2,2,2-trichloro-1-(2-methylbenzamido)ethyl)thioureido)benzoic acid|4-{[(2,2,2-trichloro-1-{[(2-methylphenyl)carbonyl]amino}ethyl)carbamothioyl]amino}benzoic acid|4-[[2,2,2-trichloro-1-[(2-methylbenzoyl)amino]ethyl]carbamothioylamino]benzoic acid|4-{[({2,2,2-trichloro-1-[(2-methylbenzoyl)amino]ethyl}amino)carbonothioyl]amino}benzoic acid
| Molecular Formula | C18H16Cl3N3O3S |
|---|---|
| Molecular Weight | 458.9978 g/mol |
| LogP | 4.10592 |
| Topological Polar Surface Area | 90.46 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.9978 |
| Monoisotopic Mass | 458.9978 |
| Heavy Atoms | 28 |
| Complexity | 885.6348 |
Chemical Identifiers
| CAS Number | 294657-92-4 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=C(C=C2)C(=O)O |
Product Overview
AC1MQ0MA (CAS 294657-92-4), with molecular formula C18H16Cl3N3O3S and molecular weight 458.9978 g/mol. IUPAC: 4-[[2,2,2-trichloro-1-[(2-methylbenzoyl)amino]ethyl]carbamothioylamino]benzoic acid.
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