Basic information
- Standard SMILES
O=c1[nH]c(=O)n(CCCN2CC3CC3(c3ccc(Cl)cc3)C2)cc1I- InChIKey
HXNQIDMHFDDMEC-UHFFFAOYSA-N- Molecular formula
- C18H19ClIN3O2
- Average molar mass
- 471.7 g/mol
- Monoisotopic mass
- 471.02105
Names & identifiers
- Preferred name
- 1-{3-[1-(4-chlorophenyl)-3-azabicyclo[3.1.0]hex-3-yl]propyl}-5-iodo-2,4(1H,3H)-pyrimidinedione
- IUPAC
- 1-[3-[1-(4-chlorophenyl)-3-azabicyclo[3.1.0]hexan-3-yl]propyl]-5-iodopyrimidine-2,4-dione
Names & synonyms
HXNQIDMHFDDMEC-UHFFFAOYSA-N1-{3-[1-(4-chlorophenyl)-3-azabicyclo[3.1.0]hex-3-yl]propyl}-5-iodo-2,4(1H,3H)-pyrimidinedione
Database identifiers
- PubChem CID
- 86615947
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 52.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 605
Related reactions
1 records
Compound notes
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