Basic information
- CAS
86683-28-5- Standard SMILES
CC1=C(C(=O)NCc2ccccc2)C(c2cccc([N+](=O)[O-])c2)C(C(=O)NCc2ccccc2)=C(C)N1- InChIKey
YKAAFSQBYXGLLT-UHFFFAOYSA-N- Molecular formula
- C29H28N4O4
- Average molar mass
- 496.6 g/mol
- Monoisotopic mass
- 496.21105539
Names & identifiers
- Preferred name
- 3-N,5-N-dibenzyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide
- IUPAC
- 3-N,5-N-dibenzyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide
Names & synonyms
NSC37263886683-28-53-N,5-N-dibenzyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamideOprea1_524217DTXSID90321271AKOS001704651NSC-372638ST50450943SR-01000513544SR-01000513544-1N(3),N(5)-DIBENZYL-2,6-DI-ME-4-(3-NITROPHENYL)-1,4-2H-3,5-PYRIDINEDICARBOXAMIDEN,N'-dibenzyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide
Show more names
N~3~,N~5~-Dibenzyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide{2,6-dimethyl-4-(3-nitrophenyl)-5-[N-benzylcarbamoyl](3-1,4-dihydropyridyl)}-N -benzylcarboxamideN3,N5-DIBENZYL-2,6-DIMETHYL-4-(3-NITROPHENYL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXAMIDE
Database identifiers
- CAS
86683-28-5- PubChem CID
- 341122
- DTXSID
DTXSID90321271
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 853
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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