Prop-2-enyl 2-[3-(7-bromo-6-methylsulfanyl-4-oxoquinazolin-3-yl)-2-oxopropyl]-3-methoxypiperidine-1-carboxylate

HCID 14699331
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Basic information

Standard SMILES
C=CCOC(=O)N1CCCC(OC)C1CC(=O)Cn1cnc2cc(Br)c(SC)cc2c1=O
InChIKey
VULJJOIHOGECEJ-UHFFFAOYSA-N
Molecular formula
C22H26BrN3O5S
Average molar mass
524.4 g/mol
Monoisotopic mass
523.07765

Names & identifiers

Preferred name
Prop-2-enyl 2-[3-(7-bromo-6-methylsulfanyl-4-oxoquinazolin-3-yl)-2-oxopropyl]-3-methoxypiperidine-1-carboxylate
IUPAC
prop-2-enyl 2-[3-(7-bromo-6-methylsulfanyl-4-oxoquinazolin-3-yl)-2-oxopropyl]-3-methoxypiperidine-1-carboxylate

Names & synonyms

SCHEMBL9541189

Database identifiers

PubChem CID
14699331

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
114 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
32

Related reactions

1 records
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Compound notes

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