(RS)-N-(Ethoxycarbonyl)-S-methyl-S-[3-({[4-(2-methyl-4-pyridylamino)-6-methoxyquinazolin-7-yl]oxy}methyl)phenyl]sulphoximide

HCID 57788005

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

Related reactions

3 records

Linked notes

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