8-Carbamyl-5-(3-(7-chloroquinolin-2-ylmethoxy)phenyl)-4,6-dithiaoctanoic acid

HCID 19930516
Substructure searchFind similar structures

Basic information

Standard SMILES
NC(=O)CCSC(SCCC(=O)O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1
InChIKey
IFTXXHJKDORADX-UHFFFAOYSA-N
Molecular formula
C23H23ClN2O4S2
Average molar mass
491 g/mol

Names & identifiers

Preferred name
8-Carbamyl-5-(3-(7-chloroquinolin-2-ylmethoxy)phenyl)-4,6-dithiaoctanoic acid
IUPAC
3-[(3-amino-3-oxopropyl)sulfanyl-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]methyl]sulfanylpropanoic acid

Names & synonyms

SCHEMBL9264264IFTXXHJKDORADX-UHFFFAOYSA-N8-CARBAMYL-5-(3-(7-CHLOROQUINOLIN-2-YLMETHOXY)PHENYL)-4,6-DITHIAOCTANOIC ACID

Database identifiers

PubChem CID
19930516

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
153 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
12
Heavy atoms
32

Related reactions

5 records
New reaction record

Linked notes

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