Basic information
- Standard SMILES
CCOC(=O)N=S(C)(=O)c1cccc(COc2cc3ncnc(Nc4ccnc(C)c4)c3cc2OC)c1- InChIKey
BWRAFVYJIODRQM-UHFFFAOYSA-N- Molecular formula
- C26H27N5O5S
- Average molar mass
- 521.6 g/mol
Names & identifiers
- Preferred name
- (RS)-N-(Ethoxycarbonyl)-S-methyl-S-[3-({[4-(2-methyl-4-pyridylamino)-6-methoxyquinazolin-7-yl]oxy}methyl)phenyl]sulphoximide
- IUPAC
- ethyl N-[[3-[[6-methoxy-4-[(2-methyl-4-pyridinyl)amino]quinazolin-7-yl]oxymethyl]phenyl]-methyl-oxo-λ6-sulfanylidene]carbamate
Names & synonyms
SCHEMBL1707259BWRAFVYJIODRQM-UHFFFAOYSA-N(RS)-N-(ethoxycarbonyl)-S-methyl-S-[3-({[4-(2-methyl-4-pyridylamino)-6-methoxyquinazolin-7-yl]oxy}methyl)phenyl]-sulphoximide(RS)-N-(Ethoxycarbonyl)-S-methyl-S-[3-({[4-(2-methyl-4-pyridylamino)-6-methoxyquinazolin-7-yl]oxy}methyl)phenyl]sulphoximide
Database identifiers
- PubChem CID
- 57788005
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 868
Related reactions
3 records
Linked notes
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