Basic information
- Standard SMILES
COc1c(NC(=O)c2ccc(C)c(-n3cc(-c4ccc(N(C)C)nc4)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O- InChIKey
IBIWJOOMOFHMQJ-UHFFFAOYSA-N- Molecular formula
- C29H35N7O4S
- Average molar mass
- 577.7 g/mol
Names & identifiers
- Preferred name
- N-(5-tert-Butyl-3-methanesulfonylamino-2-methoxy-phenyl)-3-[4-(6-dimethylamino-pyridin-3-yl)-[1,2,3]triazol-1-yl]-4-methyl-benzamide
- IUPAC
- N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3-[4-[6-(dimethylamino)-3-pyridinyl]triazol-1-yl]-4-methylbenzamide
Names & synonyms
SCHEMBL4030694IBIWJOOMOFHMQJ-UHFFFAOYSA-NN-(5-tert-Butyl-3-methanesulfonylamino-2-methoxy-phenyl)-3-[4-(6-dimethylamino-pyridin-3-yl)-[1,2,3]triazol-1-yl]-4-methyl-benzamide
Database identifiers
- PubChem CID
- 21097175
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 985
Related reactions
2 records
Compound notes
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