5-(Dimethylsulfamoyl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-nicotinic acid isopropyl ester

HCID 67945992
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Basic information

Standard SMILES
CC1=C(C(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(S(=O)(=O)N(C)C)=C(C)N1
InChIKey
TWPZSPTXNUUDBJ-UHFFFAOYSA-N
Molecular formula
C19H25N3O6S
Average molar mass
423.5 g/mol
Monoisotopic mass
423.1464067

Names & identifiers

Preferred name
5-(Dimethylsulfamoyl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-nicotinic acid isopropyl ester
IUPAC
propan-2-yl 5-(dimethylsulfamoyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Names & synonyms

SCHEMBL9867139TWPZSPTXNUUDBJ-UHFFFAOYSA-N5-(di-methylsulfamoyl)-1.4-dihydro-2,6 -dimethyl-4-(3-nitrophenyl)-nicotinic acid isopropyl ester5-(dimethylsulfamoyl)-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-nicotinic acid isopropyl ester

Database identifiers

PubChem CID
67945992

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
130 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
29

Related reactions

2 records
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Compound notes

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