6-(1-Imidazolylmethyl)benzoxazol-2-yl-methyl methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate

HCID 70048044
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Basic information

Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OCc2nc3ccc(Cc4ncc[nH]4)cc3o2)C1c1cccc([N+](=O)[O-])c1
InChIKey
BNRBFPBVSYUSKS-UHFFFAOYSA-N
Molecular formula
C28H25N5O7
Average molar mass
543.5 g/mol

Names & identifiers

Preferred name
6-(1-Imidazolylmethyl)benzoxazol-2-yl-methyl methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
IUPAC
5-O-[[6-(1H-imidazol-2-ylmethyl)-1,3-benzoxazol-2-yl]methyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Names & synonyms

SCHEMBL7294660BNRBFPBVSYUSKS-UHFFFAOYSA-N6-(1-imidazolylmethyl)benzoxazol-2-yl-methyl methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate

Database identifiers

PubChem CID
70048044

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
165 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
9
Heavy atoms
40

Related reactions

2 records
New reaction record

Compound notes

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