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

HCID 21097129

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

Related reactions

4 records

Compound notes

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