Basic information
- Standard SMILES
O=C(Nc1ccc(F)cn1)N[C@@H]1[C@@H]2COc3c(F)ccc(F)c3[C@@H]21- InChIKey
DQGIUTUTGLYVTL-IHPUGEDLSA-N- Molecular formula
- C16H12F3N3O2
- Average molar mass
- 335.28 g/mol
- Monoisotopic mass
- 335.08816112
Names & identifiers
- Preferred name
- N-[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]-N'-(5-fluoro-2-pyridinyl)urea
- IUPAC
- 1-[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]-3-(5-fluoro-2-pyridinyl)urea
Names & synonyms
SCHEMBL1823339DQGIUTUTGLYVTL-IHPUGEDLSA-NN-[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]-N'-(5-fluoro-2-pyridinyl) UreaN-[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]-N'-(5-fluoro-2-pyridinyl)urea
Database identifiers
- PubChem CID
- 60077565
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 497
Related reactions
3 records
Compound notes
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