Basic information
- Standard SMILES
CCSCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOc2ccc(NC(C)=O)cc2)C1c1cccc([N+](=O)[O-])c1- InChIKey
VEWWBMZLJIXJKM-UHFFFAOYSA-N- Molecular formula
- C29H33N3O8S
- Average molar mass
- 583.7 g/mol
Names & identifiers
- Preferred name
- 2-(4-Acetylaminophenoxy)ethyl 2,6-dimethyl-5-(2-ethylthioethoxycarbonyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
- IUPAC
- 3-O-[2-(4-acetamidophenoxy)ethyl] 5-O-(2-ethylsulfanylethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
SCHEMBL10665219VEWWBMZLJIXJKM-UHFFFAOYSA-N2-(4-acetylaminophenoxy)ethyl 2,6-dimethyl-5-(2-ethylthioethoxycarbonyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Database identifiers
- PubChem CID
- 20151264
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 14
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
2 records
Compound notes
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