N-(5-tert-Butyl-3-methanesulfonylamino-2-methoxy-phenyl)-3-[4-(5-cyclopropyl-1-isopropyl-1H-pyrazol-4-yl)-[1,2,3]triazol-1-yl]-4-methyl-benzamide

HCID 21097161
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Basic information

Standard SMILES
COc1c(NC(=O)c2ccc(C)c(-n3cc(-c4cnn(C(C)C)c4C4CC4)nn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O
InChIKey
ZEWSHHFJXMQROY-UHFFFAOYSA-N
Molecular formula
C31H39N7O4S
Average molar mass
605.8 g/mol

Names & identifiers

Preferred name
N-(5-tert-Butyl-3-methanesulfonylamino-2-methoxy-phenyl)-3-[4-(5-cyclopropyl-1-isopropyl-1H-pyrazol-4-yl)-[1,2,3]triazol-1-yl]-4-methyl-benzamide
IUPAC
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3-[4-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide

Names & synonyms

SCHEMBL4034309ZEWSHHFJXMQROY-UHFFFAOYSA-NN-(5-tert-Butyl-3-methanesulfonylamino-2-methoxy-phenyl)-3-[4-(5-cyclopropyl-1-isopropyl-1H-pyrazol-4-yl)-[1,2,3]triazol-1-yl]-4-methyl-benzamide

Database identifiers

PubChem CID
21097161

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
141 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
10
Heavy atoms
43

Related reactions

2 records
New reaction record

Compound notes

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