N-{4-[(6,7-Dimethoxy-4-quinazolinyl)oxy]phenyl}-N'-(2-methylpentanoyl)thiourea
Basic information
- Standard SMILES
CCCC(C)C(=O)NC(=S)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1- InChIKey
MDLSENZJTZIFOZ-UHFFFAOYSA-N- Molecular formula
- C23H26N4O4S
- Average molar mass
- 454.5 g/mol
- Monoisotopic mass
- 454.1674765
Names & identifiers
- Preferred name
- N-{4-[(6,7-Dimethoxy-4-quinazolinyl)oxy]phenyl}-N'-(2-methylpentanoyl)thiourea
- IUPAC
- N-[[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]carbamothioyl]-2-methylpentanamide
Names & synonyms
SCHEMBL5824506MDLSENZJTZIFOZ-UHFFFAOYSA-NN-{4-[(6,7-Dimethoxy-4-quinazolinyl)-oxy]phenyl}-N'-(2-methylpentanoyl)thioureaN-{4-[(6,7-Dimethoxy-4-quinazolinyl)oxy]phenyl}-N'-(2-methylpentanoyl)thiourea
Database identifiers
- PubChem CID
- 21890971
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 617
Related reactions
2 records
Compound notes
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