N-(Tetrahydro-2H-pyran-2-yloxy) 2-[6-(naphthalene-2-sulfonylamino)-3-azabicyclo[3.1.0]hex-3-yl]pyrimidine-5-carboxamide
Basic information
- Standard SMILES
O=C(NOC1CCCCO1)c1cnc(N2CC3C(C2)C3NS(=O)(=O)c2ccc3ccccc3c2)nc1- InChIKey
FEDCTRRBYFUUAD-UHFFFAOYSA-N- Molecular formula
- C25H27N5O5S
- Average molar mass
- 509.6 g/mol
- Monoisotopic mass
- 509.17329015
Names & identifiers
- Preferred name
- N-(Tetrahydro-2H-pyran-2-yloxy) 2-[6-(naphthalene-2-sulfonylamino)-3-azabicyclo[3.1.0]hex-3-yl]pyrimidine-5-carboxamide
- IUPAC
- 2-[6-(naphthalen-2-ylsulfonylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-N-(oxan-2-yloxy)pyrimidine-5-carboxamide
Names & synonyms
SCHEMBL1010052FEDCTRRBYFUUAD-UHFFFAOYSA-NN-(Tetrahydro-2H-pyran-2-yloxy) 2-[6-(naphthalene-2-sulfonylamino)-3-azabicyclo[3.1.0]hex-3-yl]pyrimidine-5-carboxamideN-(Tetrahydro-2H-pyran-2-yloxy) 2-{6-[(naphthalene-2-sulfonyl)amino]-3-azabicyclo[3.1.0]hex-3-yl}pyrimidine-5-carboxamide
Database identifiers
- PubChem CID
- 59367684
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 880
Related reactions
4 records
Compound notes
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