2-[(6,8-Dibromo-2-methyl-4-oxoquinazolin-3(4H)-yl)acetyl]hydrazine-1-carbothioamide

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Basic information

CAS: 68377-74-2
Standard SMILES: Cc1nc2c(Br)cc(Br)cc2c(=O)n1CC(=O)NNC(N)=S
InChIKey: ZDOOIAUSKWQYDC-UHFFFAOYSA-N
Molecular formula: C12H11Br2N5O2S
Average molar mass: 449.12 g/mol
Monoisotopic mass: 446.90002

Names & identifiers

Preferred name: 2-[(6,8-Dibromo-2-methyl-4-oxoquinazolin-3(4H)-yl)acetyl]hydrazine-1-carbothioamide
IUPAC: [[2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]thiourea
English name: [[2-(6,8-dibromo-2-methyl-4-oxo-quinazolin-3-yl)acetyl]amino]thiourea
Molecular formula: C12H11Br2N5O2S
Molecular weight: 449.12

Names & synonyms

68377-74-2NSC 317048NSC317048DTXSID90404356NSC-3170482-[(6,8-Dibromo-2-methyl-4-oxoquinazolin-3(4H)-yl)acetyl]hydrazine-1-carbothioamide[[2-(6,8-dibromo-2-methyl-4-oxo-quinazolin-3-yl)acetyl]amino]thiourea3(4H)-Quinazolineacetic acid, 6,8-dibromo-2-methyl-4-oxo-, 2-(aminothioxomethyl)hydrazide

Database identifiers

CAS: 68377-74-2
PubChem CID: 4569487
DTXSID: DTXSID90404356

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 132 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 22
Formal charge: 0
Complexity: 530

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Compound notes

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