Basic information
- Standard SMILES
CC(C)S(=O)(=O)c1ccc(-c2cncc(-c3cc(-c4ccc(CN(C)C(=O)OC(C)(C)C)cc4)no3)n2)cc1- InChIKey
OKPUMJMFCWDSCQ-UHFFFAOYSA-N- Molecular formula
- C29H32N4O5S
- Average molar mass
- 548.7 g/mol
Names & identifiers
- Preferred name
- tert-butyl N-[[4-[5-[6-(4-isopropylsulfonylphenyl)pyrazin-2-yl]isoxazol-3-yl]phenyl]methyl]-N-methyl-carbamate
- IUPAC
- tert-butyl N-methyl-N-[[4-[5-[6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methyl]carbamate
Names & synonyms
SCHEMBL2637693OKPUMJMFCWDSCQ-UHFFFAOYSA-Ntert-butyl 4-(5-(6-(4-(isopropylsulfonyl)phenyl)pyrazin-2-yl)isoxazol-3-yl)benzyl(methyl)carbamatetert-butyl N-[[4-[5-[6-(4-isopropylsulfonylphenyl)pyrazin-2-yl]isoxazol-3-yl]phenyl]methyl]-N-methyl-carbamate
Database identifiers
- PubChem CID
- 67480464
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 902
Related reactions
2 records
Compound notes
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