Basic information
- Standard SMILES
CC1=C(C(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OC(C)C)=C(N)N1- InChIKey
MDQKIJIAWSPBIS-UHFFFAOYSA-N- Molecular formula
- C33H34N4O6
- Average molar mass
- 582.6 g/mol
Names & identifiers
- Preferred name
- 3-Isopropyl 5-(1-benzhydryl-3-azetidinyl) 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
- IUPAC
- 5-O-(1-benzhydrylazetidin-3-yl) 3-O-propan-2-yl 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
SCHEMBL7272814MDQKIJIAWSPBIS-UHFFFAOYSA-N3-Isopropyl 5-(1-benzhydryl-3-azetidinyl) 2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Database identifiers
- PubChem CID
- 10076975
- Nikkaji
- J859.845B
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
1 records
Compound notes
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