Basic information
- Standard SMILES
COC(=O)c1ccc(C)c(-n2ccnc(NC(C)(C)c3ccccc3OCCN(C)C(=O)OCc3ccccc3)c2=O)c1- InChIKey
HLILNAWZKISTOG-UHFFFAOYSA-N- Molecular formula
- C33H36N4O6
- Average molar mass
- 584.7 g/mol
- Monoisotopic mass
- 584.26348488
Names & identifiers
- Preferred name
- 4-Methyl-3-[3-[[1-methyl-1-[2-[2-[methyl[(phenylmethoxy)carbonyl]amino]ethoxy]phenyl]ethyl]amino]-2-oxo-1(2H)-pyrazinyl]-benzoic acid methyl ester
- IUPAC
- methyl 4-methyl-3-[3-[2-[2-[2-[methyl(phenylmethoxycarbonyl)amino]ethoxy]phenyl]propan-2-ylamino]-2-oxopyrazin-1-yl]benzoate
Names & synonyms
SCHEMBL452018HLILNAWZKISTOG-UHFFFAOYSA-N4-Methyl-3-[3-[[1-methyl-1-[2-[2-[methyl[(phenylmethoxy)carbonyl]amino]ethoxy]phenyl]ethyl]amino]-2-oxo-1(2H)-pyrazinyl]-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 66690144
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
7 records
Compound notes
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