6-Nitro-3-((2-(o-tolylimino)-4-oxo-3-thiazolidinyl)methyl)-4(3H)-quinazolinone

HCID 63553

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Basic information

CAS: 74911-43-6
Standard SMILES: Cc1ccccc1N=C1SCC(=O)N1Cn1cnc2ccc([N+](=O)[O-])cc2c1=O
InChIKey: ICSMVGFWGKRYMN-UHFFFAOYSA-N
Molecular formula: C19H15N5O4S
Average molar mass: 409.4 g/mol
Monoisotopic mass: 409.08447515

Names & identifiers

Preferred name: 6-Nitro-3-((2-(o-tolylimino)-4-oxo-3-thiazolidinyl)methyl)-4(3H)-quinazolinone
IUPAC: 2-(2-methylphenyl)imino-3-[(6-nitro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazolidin-4-one

Names & synonyms

BRN 49476126-Nitro-3-((2-(o-tolylimino)-4-oxo-3-thiazolidinyl)methyl)-4(3H)-quinazolinone4(3H)-Quinazolinone, 6-nitro-3-((2-(o-tolylimino)-4-oxo-3-thiazolidinyl)methyl)-74911-43-6

Database identifiers

CAS: 74911-43-6
PubChem CID: 63553

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 136 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 29
Formal charge: 0
Complexity: 751

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