Basic information
- Standard SMILES
CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)NNC(=O)c3ccc(CNC(=O)OC(C)(C)C)cc3)n2)cc1- InChIKey
CKULQUMECHWHMF-UHFFFAOYSA-N- Molecular formula
- C27H32N6O6S
- Average molar mass
- 568.6 g/mol
- Monoisotopic mass
- 568.21040394
Names & identifiers
- Preferred name
- Tert-butyl 4-(2-(3-amino-6-(4-(isopropylsulfonyl)phenyl)pyrazine-2-carbonyl)hydrazinecarbonyl)benzylcarbamate
- IUPAC
- tert-butyl N-[[4-[[[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carbonyl]amino]carbamoyl]phenyl]methyl]carbamate
Names & synonyms
SCHEMBL3059617CKULQUMECHWHMF-UHFFFAOYSA-Ntert-butyl 4-(2-(3-amino-6-(4-(isopropylsulfonyl)phenyl)pyrazine-2-carbonyl)hydrazinecarbonyl)benzylcarbamate
Database identifiers
- PubChem CID
- 59471855
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 191 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 978
Related reactions
4 records
Linked notes
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