Basic information
- Standard SMILES
COc1nc(C)cnc1N(C(=O)OCC(C)C)S(=O)(=O)c1cccnc1-c1ccc(-c2ncccn2)cc1- InChIKey
NJOVRSIOTCYAAT-UHFFFAOYSA-N- Molecular formula
- C26H26N6O5S
- Average molar mass
- 534.6 g/mol
- Monoisotopic mass
- 534.16853912
Names & identifiers
- Preferred name
- N-isobutoxycarbonyl-N-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-[pyrimidin-2-yl]phenyl)pyridine-3-sulphonamide
- IUPAC
- 2-methylpropyl N-(3-methoxy-5-methylpyrazin-2-yl)-N-[[2-(4-pyrimidin-2-ylphenyl)-3-pyridinyl]sulfonyl]carbamate
Names & synonyms
SCHEMBL8040168NJOVRSIOTCYAAT-UHFFFAOYSA-NN-isobutoxycarbonyl-N-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-[pyrimidin-2-yl]phenyl)pyridine-3-sulphonamide
Database identifiers
- PubChem CID
- 21186320
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 857
Related reactions
2 records
Compound notes
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