Basic information
- Standard SMILES
Cc1cc(C(=O)Nc2cccc(C#Cc3cncc(C(=O)N=S(=O)(CCCCC(=O)O)c4ccccc4)c3)c2)n(C)n1- InChIKey
VPNIQESLULSSEG-UHFFFAOYSA-N- Molecular formula
- C31H29N5O5S
- Average molar mass
- 583.7 g/mol
Names & identifiers
- Preferred name
- 5-[N-[5-[2-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]ethynyl]pyridine-3-carbonyl]-S-phenylsulfonimidoyl]pentanoic acid
- IUPAC
- 5-[N-[5-[2-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]ethynyl]pyridine-3-carbonyl]-S-phenylsulfonimidoyl]pentanoic acid
Names & synonyms
SCHEMBL834169
Database identifiers
- PubChem CID
- 76585249
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,150
Related reactions
1 records
Compound notes
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