(RS)-S-{3-[({4-[(3-Cyanophenyl)amino]-6-methoxyquinazolin-7-yl}oxy)methyl]-phenyl}-N-(ethoxycarbonyl)-S-methylsulphoximide

HCID 57788002
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)N=S(C)(=O)c1cccc(COc2cc3ncnc(Nc4cccc(C#N)c4)c3cc2OC)c1
InChIKey
BHPFJNRKXMWCBL-UHFFFAOYSA-N
Molecular formula
C27H25N5O5S
Average molar mass
531.6 g/mol

Names & identifiers

Preferred name
(RS)-S-{3-[({4-[(3-Cyanophenyl)amino]-6-methoxyquinazolin-7-yl}oxy)methyl]-phenyl}-N-(ethoxycarbonyl)-S-methylsulphoximide
IUPAC
ethyl N-[[3-[[4-(3-cyanoanilino)-6-methoxyquinazolin-7-yl]oxymethyl]phenyl]-methyl-oxo-λ6-sulfanylidene]carbamate

Names & synonyms

SCHEMBL1706613BHPFJNRKXMWCBL-UHFFFAOYSA-N(RS)-S-{3-[({4-[(3-Cyanophenyl)amino]-6-methoxyquinazolin-7-yl}oxy)methyl]-phenyl}-N-(ethoxycarbonyl)-S-methylsulphoximide

Database identifiers

PubChem CID
57788002

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
144 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
9
Heavy atoms
38

Related reactions

1 records
New reaction record

Compound notes

Loading…