Basic information
- Standard SMILES
O=S(=O)(CCNCC1(c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)CC=CO1)c1ccccc1- InChIKey
ZGFRXHGTGMJFMO-UHFFFAOYSA-N- Molecular formula
- C34H30ClFN4O4S
- Average molar mass
- 645.1 g/mol
Names & identifiers
- Preferred name
- (4-(3-Fluorobenzyloxy)-3-chlorophenyl)-(6-(2-((2-phenylsulphonyl-ethylamino)-methyl)-furan-2-yl)-quinazolin-4-yl)-amine
- IUPAC
- 6-[2-[[2-(benzenesulfonyl)ethylamino]methyl]-3H-furan-2-yl]-N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]quinazolin-4-amine
Names & synonyms
SCHEMBL4005417ZGFRXHGTGMJFMO-UHFFFAOYSA-N(4-(3-Fluorobenzyloxy)-3-chlorophenyl)-(6-(2-((2-phenylsulphonyl-ethylamino)-methyl)-furan-2-yl)-quinazolin-4-yl)-amine
Database identifiers
- PubChem CID
- 22018034
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
5 records
Compound notes
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