N-(5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenyl)-4-methyl-3-[4-(3-methyl-3H-imidazol-4-yl)-pyrazol-1-yl]-benzamide
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
COc1c(NC(=O)c2ccc(C)c(-n3cc(-c4cncn4C)cn3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O- InChIKey
ZDIBLVQUWLBYHU-UHFFFAOYSA-N- Molecular formula
- C27H32N6O4S
- Average molar mass
- 536.6 g/mol
- Monoisotopic mass
- 536.2205747
Names & identifiers
- Preferred name
- N-(5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenyl)-4-methyl-3-[4-(3-methyl-3H-imidazol-4-yl)-pyrazol-1-yl]-benzamide
- IUPAC
- N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-methyl-3-[4-(3-methylimidazol-4-yl)pyrazol-1-yl]benzamide
Names & synonyms
SCHEMBL303460ZDIBLVQUWLBYHU-UHFFFAOYSA-NN-(5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenyl)-4-methyl-3-[4-(3-methyl-3H-imidazol-4-yl)-pyrazol-1-yl]-benzamide
Database identifiers
- PubChem CID
- 21097201
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 922
Related reactions
3 records
Compound notes
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