AC1NC5TL
4-chloro-3-[3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]benzoic acid
Also Known As: 2-Butanone,3-(2,3-dimethyloxiranyl)-(9ci)|4-chloro-3-[3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]benzoic acid|4-chloro-3-[3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoylcarba|4-Chloro-3-({[3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoyl]carbamothioyl}amino)benzoic acid|4-chloro-3-[3-(3,5-dibromo-2-methoxy-phenyl)prop-2-enoylthiocarbamoylamino]benzoic Acid|4-CHLORO-3-[[[[3-(3,5-DIBROMO-2-METHOXYPHENYL)-1-OXO-2-PROPENYL ]AMINO]THIOXOMETHYL ]AMINO]-BENZOIC ACID
| Molecular Formula | C18H13Br2ClN2O4S |
|---|---|
| Molecular Weight | 545.8651 g/mol |
| LogP | 5.0982 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 545.8651 |
| Monoisotopic Mass | 547.8631 |
| Heavy Atoms | 28 |
| Complexity | 982.2982 |
Chemical Identifiers
| CAS Number | 525575-85-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1Br)Br)C=CC(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl |
Product Overview
AC1NC5TL (CAS 525575-85-3), with molecular formula C18H13Br2ClN2O4S and molecular weight 545.8651 g/mol. IUPAC: 4-chloro-3-[3-(3,5-dibromo-2-methoxyphenyl)prop-2-enoylcarbamothioylamino]benzoic acid.