Basic information
- Standard SMILES
CC(C)CN(C)c1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-n3ccnn3)c2)cc1Cl- InChIKey
AVUYQXLUAIVSIW-UHFFFAOYSA-N- Molecular formula
- C27H33ClN6O4
- Average molar mass
- 541 g/mol
Names & identifiers
- Preferred name
- {4-Chloro-5-(isobutyl-methyl-amino)-2-[3-oxo-3-(3-[1,2,3]triazol-1-yl-phenyl)-propionylamino]-phenyl}-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[4-chloro-5-[methyl(2-methylpropyl)amino]-2-[[3-oxo-3-[3-(triazol-1-yl)phenyl]propanoyl]amino]phenyl]carbamate
Names & synonyms
SCHEMBL6163113AVUYQXLUAIVSIW-UHFFFAOYSA-N{4-Chloro-5-(isobutyl-methyl-amino)-2-[3-oxo-3-(3-[1,2,3]triazol-1-yl-phenyl)-propionylamino]-phenyl}-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 86586902
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 822
Related reactions
4 records
Compound notes
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