Basic information
- Standard SMILES
COS(=O)(=O)C1=C(C)NC(C)=C(C(=O)O)C1c1cccc([N+](=O)[O-])c1- InChIKey
UUZLYHSBHSRLPV-UHFFFAOYSA-N- Molecular formula
- C15H16N2O7S
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.06782203
Names & identifiers
- Preferred name
- (+)-2,6-Dimethyl-3-methoxysulfonyl-4-(3-nitrophenyl)-5-carboxy-1,4-dihydropyridine
- IUPAC
- 5-methoxysulfonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid
Names & synonyms
SCHEMBL7266671UUZLYHSBHSRLPV-UHFFFAOYSA-N(+)-2,6-dimethyl-3-methoxysulfonyl-4-(3-nitrophenyl)-5-carboxy-1,4-dihydropyridine(-)-2,6-dimethyl-3-methoxysulfonyl-4-(3-nitrophenyl)-5-carboxy-1,4-dihydropyridine
Database identifiers
- PubChem CID
- 19856659
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 743
Related reactions
1 records
Compound notes
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