AC1NC626
4-chloro-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid
Also Known As: 4-chloro-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid|4-chloro-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamo|4-Chloro-3-[({[5-methyl-2-(propan-2-yl)phenoxy]acetyl}carbamothioyl)amino]benzoic acid|4-CHLORO-3-[[[[[5-METHYL-2- PHENOXY]ACETYL]AMINO]THIOXOMETHYL]AMINO]-BENZOICACID|4-chloro-3-[[2-(5-methyl-2-propan-2-yl-phenoxy)acetyl]thiocarbamoylamino]benzoic Acid|4-Chloro-3-[[[[[5-methyl-2-(1-methylethyl)phenoxy]acetyl ]amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C20H21ClN2O4S |
|---|---|
| Molecular Weight | 420.09106 g/mol |
| LogP | 4.36202 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.09106 |
| Monoisotopic Mass | 420.09106 |
| Heavy Atoms | 28 |
| Complexity | 915.07385 |
Chemical Identifiers
| CAS Number | 535948-61-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)O)Cl |
Product Overview
AC1NC626 (CAS 535948-61-9), with molecular formula C20H21ClN2O4S and molecular weight 420.09106 g/mol. IUPAC: 4-chloro-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]benzoic acid.