AC1MICV7
4-[4-[dimethylcarbamoyl(methyl)carbamoyl]piperazin-1-yl]benzoic acid
Also Known As: C16H22N4O4.1/4H2O|1-(4-Carboxyphenyl)-4-(2,4,4-trimethylallophanoyl)piperazine hydrate (4:1)|Benzoic acid, 4-(4-((((dimethylamino)carbonyl)methylamino)carbonyl)-1-piperazinyl)-, hydrate (4:1)|C16-H22-N4-O4.1/4H2-O|4-[4-[dimethylcarbamoyl(methyl)carbamoyl]piperazin-1-yl]benzoic acid|4-[4-[dimethylcarbamoyl(methyl)carbamoyl]piperazin-1-yl]benz|4-{4-[(Dimethylcarbamoyl)(methyl)carbamoyl]piperazin-1-yl}benzoic acid
| Molecular Formula | C16H22N4O4 |
|---|---|
| Molecular Weight | 334.1641 g/mol |
| LogP | 1.2402 |
| Topological Polar Surface Area | 84.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.1641 |
| Monoisotopic Mass | 334.1641 |
| Heavy Atoms | 24 |
| Complexity | 621.4695 |
Chemical Identifiers
| CAS Number | 80712-35-2 |
|---|---|
| SMILES | CN(C)C(=O)N(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)O |
Product Overview
AC1MICV7 (CAS 80712-35-2), with molecular formula C16H22N4O4 and molecular weight 334.1641 g/mol. IUPAC: 4-[4-[dimethylcarbamoyl(methyl)carbamoyl]piperazin-1-yl]benzoic acid.
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