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

HCID 57787997
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)N=S(C)(=O)c1cccc(COc2cc3ncnc(NC4CC4)c3cc2OC)c1
InChIKey
UIPVIHIVTOQWLU-UHFFFAOYSA-N
Molecular formula
C23H26N4O5S
Average molar mass
470.5 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL1708497UIPVIHIVTOQWLU-UHFFFAOYSA-N(RS)-S-[3-({[4-(Cyclopropylamino)-6-methoxyquinazolin-7-yl]oxy}methyl)-phenyl]-N-(ethoxycarbonyl)-S-methylsulphoximide

Database identifiers

PubChem CID
57787997

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
120 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
33

Related reactions

1 records
New reaction record

Linked notes

Loading…