4-(4,6-Dichloroquinolin-2-yl)-7-fluoro-2,3,4,5-tetrahydro-1,4-benzothiazepine 1,1-dioxide

HCID 71255458
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Basic information

Standard SMILES
O=S1(=O)CCN(c2cc(Cl)c3cc(Cl)ccc3n2)Cc2cc(F)ccc21
InChIKey
OKHADBDXNPXADZ-UHFFFAOYSA-N
Molecular formula
C18H13Cl2FN2O2S
Average molar mass
411.3 g/mol
Monoisotopic mass
410.0058824

Names & identifiers

Preferred name
4-(4,6-Dichloroquinolin-2-yl)-7-fluoro-2,3,4,5-tetrahydro-1,4-benzothiazepine 1,1-dioxide
IUPAC
4-(4,6-dichloroquinolin-2-yl)-7-fluoro-3,5-dihydro-2H-1lambda6,4-benzothiazepine 1,1-dioxide

Names & synonyms

SCHEMBL14692210OKHADBDXNPXADZ-UHFFFAOYSA-N4-(4,6-dichloroquinolin-2-yl)-7-fluoro-2,3,4,5-tetrahydro-1,4-benzothiazepine 1,1-dioxide

Database identifiers

PubChem CID
71255458

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
58.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
26

Related reactions

1 records
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Compound notes

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