4-(4-Chloro-6-methylquinolin-2-yl)-8-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine

HCID 71255552
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Basic information

Standard SMILES
COc1ccc2c(c1)SCCN(c1cc(Cl)c3cc(C)ccc3n1)C2
InChIKey
CJSRMUVUSDFSRP-UHFFFAOYSA-N
Molecular formula
C20H19ClN2OS
Average molar mass
370.9 g/mol
Monoisotopic mass
370.0906621

Names & identifiers

Preferred name
4-(4-Chloro-6-methylquinolin-2-yl)-8-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine
IUPAC
4-(4-chloro-6-methylquinolin-2-yl)-8-methoxy-3,5-dihydro-2H-1,4-benzothiazepine

Names & synonyms

SCHEMBL14692341CJSRMUVUSDFSRP-UHFFFAOYSA-N4-(4-Chloro-6-methylquinolin-2-yl)-8-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine

Database identifiers

PubChem CID
71255552

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
50.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
25

Related reactions

3 records
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Compound notes

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