Basic information
- Standard SMILES
CNC(=O)C(C(=O)OC)N(C)C(=O)c1ccc(C#Cc2ccc(OCC(O)CO)cc2)cc1- InChIKey
JKEWSWRQJNEOGB-UHFFFAOYSA-N- Molecular formula
- C24H26N2O7
- Average molar mass
- 454.5 g/mol
Names & identifiers
- Preferred name
- 1-(2,3-Dihydroxypropoxy)-4-[(4-{[1-methoxy-3-(methylamino)-1,3-dioxopropan-2-yl](methyl)carbamoyl}phenyl)ethynyl]benzene
- IUPAC
- methyl 2-[[4-[2-[4-(2,3-dihydroxypropoxy)phenyl]ethynyl]benzoyl]-methylamino]-3-(methylamino)-3-oxopropanoate
Names & synonyms
SCHEMBL14714528JKEWSWRQJNEOGB-UHFFFAOYSA-N1-(2,3-dihydroxypropoxy)-4-[(4-{[1-methoxy-3-(methylamino)-1,3-dioxopropan-2-yl](methyl)carbamoyl}phenyl)ethynyl]benzene
Database identifiers
- PubChem CID
- 71268147
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 728
Related reactions
1 records
Compound notes
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