Basic information
- Standard SMILES
CC(=O)Nc1ccc(OCCOC(=O)C2=C(C)NC(C)=C(C(=O)OCCSC(C)C)C2c2cccc([N+](=O)[O-])c2)cc1- InChIKey
JWYDNAHLEWDPFL-UHFFFAOYSA-N- Molecular formula
- C30H35N3O8S
- Average molar mass
- 597.7 g/mol
Names & identifiers
- Preferred name
- 2-(4-Acetylaminophenoxy)ethyl 2,6-dimethyl-5-(2-isopropylthioethoxycarbonyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
- IUPAC
- 3-O-[2-(4-acetamidophenoxy)ethyl] 5-O-(2-propan-2-ylsulfanylethyl) 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
SCHEMBL10663432JWYDNAHLEWDPFL-UHFFFAOYSA-N2-(4-acetylaminophenoxy)ethyl 2,6-dimethyl-5-(2-isopropylthioethoxycarbonyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Database identifiers
- PubChem CID
- 20151218
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 174 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 14
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
2 records
Compound notes
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