Basic information
- Standard SMILES
COc1c(NC(=O)c2ccc(C)c(-n3cc(-c4cnc(C(C)(C)O)n4C)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O- InChIKey
WZQHUVXYYOXKEH-UHFFFAOYSA-N- Molecular formula
- C29H37N7O5S
- Average molar mass
- 595.7 g/mol
Names & identifiers
- Preferred name
- N-(5-tert-Butyl-3-methanesulfonylamino-2-methoxy-phenyl)-3-{4-[2-(1-hydroxy-1-methyl-ethyl)-3-methyl-3H-imidazol-4-yl]-[1,2,3]triazol-1-yl}-4-methyl-benzamide
- IUPAC
- N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3-[4-[2-(2-hydroxypropan-2-yl)-3-methylimidazol-4-yl]triazol-1-yl]-4-methylbenzamide
Names & synonyms
SCHEMBL4034405WZQHUVXYYOXKEH-UHFFFAOYSA-NN-(5-tert-Butyl-3-methanesulfonylamino-2-methoxy-phenyl)-3-{4-[2-(1-hydroxy-1-methyl-ethyl)-3-methyl-3H-imidazol-4-yl]-[1,2,3]triazol-1-yl}-4-methyl-benzamide
Database identifiers
- PubChem CID
- 21097129
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
4 records
Compound notes
Loading…