Zenarestat
2-[3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxoquinazolin-1-yl]acetic acid
| Molecular Formula | C17H11BrClFN2O4 |
|---|---|
| Molecular Weight | 441.6 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 77.9 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.9575 |
| Heavy Atoms | 26 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 112733-06-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)N(C(=O)N(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)O |
| InChIKey | SXONDGSPUVNZLO-UHFFFAOYSA-N |
📖 Product Overview
Zenarestat (CAS: 112733-06-9) is a chemical compound with molecular formula C17H11BrClFN2O4 and molecular weight 441.6 g/mol. Its IUPAC systematic name is 2-[3-[(4-bromo-2-fluorophenyl)methyl]-7-chloro-2,4-dioxoquinazolin-1-yl]acetic acid.
SXONDGSPUVNZLO-UHFFFAOYSA-N.
SMILES: C1=CC2=C(C=C1Cl)N(C(=O)N(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)O.
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