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Basic information
- Standard SMILES
CC(C)COC(C)ONC(=O)c1cnc(N2CC3C(C2)C3NS(=O)(=O)c2ccc3ccccc3c2)nc1- InChIKey
JQQBJRQKJQBNDY-UHFFFAOYSA-N- Molecular formula
- C26H31N5O5S
- Average molar mass
- 525.6 g/mol
- Monoisotopic mass
- 525.20459028
Names & identifiers
- Preferred name
- n-(1-Isobutoxyethoxy) 2-[6-(naphthalene-2-sulfonylamino)-3-azabicyclo[3.1.0]hex-3-yl]pyrimidine-5-carboxamide
- IUPAC
- N-[1-(2-methylpropoxy)ethoxy]-2-[6-(naphthalen-2-ylsulfonylamino)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimidine-5-carboxamide
Names & synonyms
SCHEMBL1009659JQQBJRQKJQBNDY-UHFFFAOYSA-Nn-(1-isobutoxyethoxy) 2-[6-(naphthalene-2-sulfonylamino)-3-azabicyclo[3.1.0]hex-3-yl]pyrimidine-5-carboxamide
Database identifiers
- PubChem CID
- 59367652
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 878
Related reactions
1 records
Compound notes
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