N-{4-[(6,7-Dimethoxy-4-quinazolinyl)oxy]phenyl}-N'-[3-(2-methylphenyl)propanoyl]thiourea

HCID 21889957

Notes Reactions

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Basic information

Standard SMILES: COc1cc2ncnc(Oc3ccc(NC(=S)NC(=O)CCc4ccccc4C)cc3)c2cc1OC
InChIKey: QTZILYLGHNZZOK-UHFFFAOYSA-N
Molecular formula: C27H26N4O4S
Average molar mass: 502.6 g/mol

Names & identifiers

Preferred name: N-{4-[(6,7-Dimethoxy-4-quinazolinyl)oxy]phenyl}-N'-[3-(2-methylphenyl)propanoyl]thiourea
IUPAC: N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-3-(2-methylphenyl)propanamide

Names & synonyms

SCHEMBL5825781QTZILYLGHNZZOK-UHFFFAOYSA-NN-{4-[(6,7-Dimethoxy-4-quinazolinyl)-oxy]phenyl}-N'-[3-(2-methylphenyl)propanoyl]thioureaN-{4-[(6,7-Dimethoxy-4-quinazolinyl)oxy]phenyl}-N'-[3-(2-methylphenyl)propanoyl]thiourea

Database identifiers

PubChem CID: 21889957

Properties

Computed structural properties

XLogP: 5.5
Topological polar surface area: 127 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 36
Formal charge: 0
Complexity: 720

Related reactions

2 records

New reaction record

HRID 721907As productuspto-grants-2006_11

HRID 2145536As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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