Tert-butyl 4-[({4-[(4-bromo-2-fluorophenyl)amino]-6-methoxyquinazolin-7-yl}oxy)methyl]cyclohexane-1-carboxylate
Basic information
- CAS
1354448-74-0- Standard SMILES
COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCC(C(=O)OC(C)(C)C)CC1- InChIKey
UHFVMMWLACQTJA-UHFFFAOYSA-N- Molecular formula
- C27H31BrFN3O4
- Average molar mass
- 560.5 g/mol
- Monoisotopic mass
- 559.1482
Names & identifiers
- Preferred name
- Tert-butyl 4-[({4-[(4-bromo-2-fluorophenyl)amino]-6-methoxyquinazolin-7-yl}oxy)methyl]cyclohexane-1-carboxylate
- IUPAC
- tert-butyl 4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]cyclohexane-1-carboxylate
Names & synonyms
1354448-74-0tert-butyl 4-[({4-[(4-bromo-2-fluorophenyl)amino]-6-methoxyquinazolin-7-yl}oxy)methyl]cyclohexane-1-carboxylatetert-butyl 4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]cyclohexane-1-carboxylateDTXSID401102778AKOS015994060KF-0099Cyclohexanecarboxylic acid, 4-[[[4-[(4-bromo-2-fluorophenyl)amino]-6-methoxy-7-quinazolinyl]oxy]methyl]-, 1,1-dimethylethyl estertert-butyl4-[({4-[(4-bromo-2-fluorophenyl)amino]-6-methoxyquinazolin-7-yl}oxy)methyl]cyclohexane-1-carboxylate
Database identifiers
- CAS
1354448-74-0- PubChem CID
- 66545280
- DTXSID
DTXSID401102778
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 718
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Compound notes
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