Tert-butyl 4-(5-(3-amino-6-(4-(isopropylsulfonyl)phenyl)pyrazin-2-yl)-1,3,4-oxadiazol-2-yl)benzylcarbamate

HCID 59471911

Basic information

Standard SMILES
CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CNC(=O)OC(C)(C)C)cc4)o3)n2)cc1
InChIKey
BMAKWZMUDAXOCI-UHFFFAOYSA-N
Molecular formula
C27H30N6O5S
Average molar mass
550.6 g/mol

Names & identifiers

Preferred name
Tert-butyl 4-(5-(3-amino-6-(4-(isopropylsulfonyl)phenyl)pyrazin-2-yl)-1,3,4-oxadiazol-2-yl)benzylcarbamate
IUPAC
tert-butyl N-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]carbamate

Names & synonyms

SCHEMBL2510905BMAKWZMUDAXOCI-UHFFFAOYSA-Ntert-butyl 4-(5-(3-amino-6-(4-(isopropylsulfonyl)phenyl)pyrazin-2-yl)-1,3,4-oxadiazol-2-yl)benzylcarbamatetert-butyl N-[[4-[5-[3-amino-6-(4-isopropylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]carbamate

Database identifiers

PubChem CID
59471911

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
172 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
9
Heavy atoms
39

Related reactions

3 records

Linked notes

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