Basic information
- Standard SMILES
COc1c(NC(=O)c2ccc(C)c(-n3cc(-c4cnccc4C)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O- InChIKey
QHFMFCGVURGPLX-UHFFFAOYSA-N- Molecular formula
- C28H32N6O4S
- Average molar mass
- 548.7 g/mol
Names & identifiers
- Preferred name
- N-(5-tert-Butyl-3-methanesulfonylamino-2-methoxy-phenyl)-4-methyl-3-[4-(4-methyl-pyridin-3-yl)-[1,2,3]triazol-1-yl]-benzamide
- IUPAC
- N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-methyl-3-[4-(4-methyl-3-pyridinyl)triazol-1-yl]benzamide
Names & synonyms
SCHEMBL4034088QHFMFCGVURGPLX-UHFFFAOYSA-NN-(5-tert-Butyl-3-methanesulfonylamino-2-methoxy-phenyl)-4-methyl-3-[4-(4-methyl-pyridin-3-yl)-[1,2,3]triazol-1-yl]-benzamide
Database identifiers
- PubChem CID
- 21097202
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 937
Related reactions
2 records
Compound notes
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