Basic information
- Standard SMILES
O=C(NCC1CCN(CCCOc2ccccc2F)CC1)C1=Cc2cnc3cccc(n23)S1- InChIKey
HBYAVJUUYMBUKI-UHFFFAOYSA-N- Molecular formula
- C25H27FN4O2S
- Average molar mass
- 466.6 g/mol
- Monoisotopic mass
- 466.18387545
Names & identifiers
- Preferred name
- N-[1-(3-(2-fluorophenoxy)propan-1-yl)piperidin-4-ylmethyl]-5-thia-1,8b-diazaacenaphthylene-4-carboxamide
- IUPAC
- N-[[1-[3-(2-fluorophenoxy)propyl]piperidin-4-yl]methyl]-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaene-6-carboxamide
Names & synonyms
SCHEMBL7986166HBYAVJUUYMBUKI-UHFFFAOYSA-NN-[1-(3-(2-fluorophenoxy)propan-1-yl)piperidin-4-ylmethyl]-5-thia-1,8b-diazaacenaphthylene-4-carboxamide
Database identifiers
- PubChem CID
- 21994003
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 702
Related reactions
2 records
Compound notes
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