Basic information
- Standard SMILES
NCCCNc1cc(N2CCS(=O)(=O)c3ccccc3C2)nc2ccc(OC(F)(F)F)cc12- InChIKey
SZTNFIMQZLCVHP-UHFFFAOYSA-N- Molecular formula
- C22H23F3N4O3S
- Average molar mass
- 480.5 g/mol
- Monoisotopic mass
- 480.14429627
Names & identifiers
- Preferred name
- N-[2-(1,1-Dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-(trifluoromethoxy)quinolin-4-yl]propane-1,3-diamine
- IUPAC
- N'-[2-(1,1-dioxo-3,5-dihydro-2H-1lambda6,4-benzothiazepin-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]propane-1,3-diamine
Names & synonyms
N-[2-(1,1-Dioxido-2,3-dihydro-1,4-benzothiazepin-4(5 H)-yl)-6-(trifluoromethoxy)quinolin-4-yl]propane-1,3-diamineSCHEMBL14692108N-[2-(1,1-Dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-(trifluoromethoxy)quinolin-4-yl]propane-1,3-diamine
Database identifiers
- PubChem CID
- 71255376
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 748
Related reactions
1 records
Compound notes
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