Basic information
- Standard SMILES
COc1cc(C)c(S(=O)(=O)N(Cc2nc(C(=O)NCCC3CCCN(C(=O)OC(C)(C)C)C3)co2)C2CC2)c(C)c1- InChIKey
QJECLAMSGNIOEC-UHFFFAOYSA-N- Molecular formula
- C29H42N4O7S
- Average molar mass
- 590.7 g/mol
- Monoisotopic mass
- 590.27742087
Names & identifiers
- Preferred name
- Tert-butyl 3-[2-({[2-({cyclopropyl[(4-methoxy-2,6-dimethylphenyl)sulfonyl]amino}methyl)-1,3-oxazol-4-yl]carbonyl}amino)ethyl]piperidine-1-carboxylate
- IUPAC
- tert-butyl 3-[2-[[2-[[cyclopropyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]methyl]-1,3-oxazole-4-carbonyl]amino]ethyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL2236127QJECLAMSGNIOEC-UHFFFAOYSA-Ntert-butyl 3-[2-({[2-({cyclopropyl[(4-methoxy-2,6-dimethylphenyl)sulfonyl]amino}methyl)-1,3-oxazol-4-yl]carbonyl}amino)ethyl]piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 67328832
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 998
Related reactions
1 records
Compound notes
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