Basic information
- Standard SMILES
NCC(F)(F)CNc1cc(N2CCS(=O)c3ccccc3C2)nc2ccc(Cl)cc12- InChIKey
SEEDMJJKLAEEGF-UHFFFAOYSA-N- Molecular formula
- C21H21ClF2N4OS
- Average molar mass
- 450.9 g/mol
Names & identifiers
- Preferred name
- N-[6-Chloro-2-(1-oxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)quinolin-4-yl]-2,2-difluoropropane-1,3-diamine
- IUPAC
- N'-[6-chloro-2-(1-oxo-3,5-dihydro-2H-1λ4,4-benzothiazepin-4-yl)quinolin-4-yl]-2,2-difluoropropane-1,3-diamine
Names & synonyms
N-[6-Chloro-2-(1-oxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)quinolin-4-yl]-2,2-difluoropropane-1,3-diamineSCHEMBL14692829
Database identifiers
- PubChem CID
- 71255835
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 90.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 616
Related reactions
1 records
Compound notes
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