Basic information
- Standard SMILES
CC(C)(C)OC(=O)[C@@H](NC(=O)c1ccc(-c2cnc3nnc(C4(c5ccc6ncccc6c5)CC4)n3n2)cc1)C(C)(C)C- InChIKey
SOKJHTBTVHEUHB-AREMUKBSSA-N- Molecular formula
- C33H35N7O3
- Average molar mass
- 577.7 g/mol
Names & identifiers
- Preferred name
- Tert-butyl-(2S)-3,3-dimethyl-2-({4-[3-(1-quinolin-6-ylcyclopropyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzoyl}amino)butanoate
- IUPAC
- tert-butyl (2S)-3,3-dimethyl-2-[[4-[3-(1-quinolin-6-ylcyclopropyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzoyl]amino]butanoate
Names & synonyms
SCHEMBL836684SOKJHTBTVHEUHB-AREMUKBSSA-Ntert-butyl (2S)-3,3-dimethyl-2-({4-[3-(1-quinolin-6-ylcyclopropyl) [1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzoyl}amino)butanoatetert-butyl (2S)-3,3-dimethyl-2-({4-[3-(1-quinolin-6-ylcyclopropyl)[1,2,4]triazolo[4,3-b][1, 2,4]triazin-6-yl]benzoyl}amino)butanoateTert-butyl-(2S)-3,3-dimethyl-2-({4-[3-(1-quino lin-6-ylcyclopropyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzoyl}amino)butanoateTert-butyl-(2S)-3,3-dimethyl-2-({4-[3-(1-quinolin-6-ylcyclopropyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzoyl}amino)butanoate
Database identifiers
- PubChem CID
- 59216337
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,010
Related reactions
6 records
Compound notes
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