Basic information
- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)CS(=O)(=O)N(C)C)C1c1cccc([N+](=O)[O-])c1- InChIKey
GZILARBBVPAIAN-UHFFFAOYSA-N- Molecular formula
- C19H23N3O7S
- Average molar mass
- 437.5 g/mol
Names & identifiers
- Preferred name
- 1,4-Dihydro-2,6-dimethyl-5-[(dimethylsulfamoyl)acetyl]-4-(3-nitrophenyl)nicotinic acid methyl ester
- IUPAC
- methyl 5-[2-(dimethylsulfamoyl)acetyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Names & synonyms
SCHEMBL7289066GZILARBBVPAIAN-UHFFFAOYSA-N1,4-dihydro-2,6-dimethyl-5-[(dimethylsulfamoyl)acetyl]-4-(3-nitrophenyl)nicotinic acid methyl ester
Database identifiers
- PubChem CID
- 70046641
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 894
Related reactions
1 records
Compound notes
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