tert-butyl 2-(4-amino-N-(4-(5-(4-methylphenylsulfonamido)-1,2,4-oxadiazol-3-yl)benzyl)benzamido)acetate
Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(CN(CC(=O)OC(C)(C)C)C(=O)c4ccc(N)cc4)cc3)no2)cc1- InChIKey
WUIRRJULOYUHAI-UHFFFAOYSA-N- Molecular formula
- C29H31N5O6S
- Average molar mass
- 577.7 g/mol
Names & identifiers
- Preferred name
- tert-butyl 2-(4-amino-N-(4-(5-(4-methylphenylsulfonamido)-1,2,4-oxadiazol-3-yl)benzyl)benzamido)acetate
- IUPAC
- tert-butyl 2-[(4-aminobenzoyl)-[[4-[5-[(4-methylphenyl)sulfonylamino]-1,2,4-oxadiazol-3-yl]phenyl]methyl]amino]acetate
Names & synonyms
SCHEMBL14239493WUIRRJULOYUHAI-UHFFFAOYSA-Ntert-butyl 2-(4-amino-N-(4-(5-(4-methylphenylsulfonamido)-1,2,4-oxadiazol-3-yl)benzyl)benzamido)acetate
Database identifiers
- PubChem CID
- 89285147
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 975
Related reactions
2 records
Compound notes
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