Basic information
- Standard SMILES
COC(=O)C1=C(C)N(C)C(C)=C(c2nc(CN(C)Cc3ccccc3)no2)C1c1cccc([N+](=O)[O-])c1- InChIKey
IGTNATDSMAUNII-UHFFFAOYSA-N- Molecular formula
- C27H29N5O5
- Average molar mass
- 503.5 g/mol
Names & identifiers
- Preferred name
- methyl 1,4-dihydro-3-[3-(N-benzyl-N-methylamino)methyl-1,2,4-oxadiazol-5-yl]-1,2,6-trimethyl-4-(3-nitrophenyl)pyridine-5-carboxylate
- IUPAC
- methyl 5-[3-[[benzyl(methyl)amino]methyl]-1,2,4-oxadiazol-5-yl]-1,2,6-trimethyl-4-(3-nitrophenyl)-4H-pyridine-3-carboxylate
Names & synonyms
SCHEMBL7321006IGTNATDSMAUNII-UHFFFAOYSA-Nmethyl 1,4-dihydro-3-[3-(N-benzyl-N-methylamino)methyl-1,2,4-oxadiazol-5-yl]-1,2,6-trimethyl-4-(3-nitrophenyl)pyridine-5-carboxylate
Database identifiers
- PubChem CID
- 20161255
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 909
Related reactions
1 records
Compound notes
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