Basic information
- Standard SMILES
Cc1cccc2nc(N3CCS(=O)(=O)c4ccccc4C3)cc(NCCCN)c12- InChIKey
OFPJANVXZZCTQS-UHFFFAOYSA-N- Molecular formula
- C22H26N4O2S
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.17764726
Names & identifiers
- Preferred name
- N-[2-(1,1-dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-5-methylquinolin-4-yl]propane-1,3-diamine
- IUPAC
- N'-[2-(1,1-dioxo-3,5-dihydro-2H-1lambda6,4-benzothiazepin-4-yl)-5-methylquinolin-4-yl]propane-1,3-diamine
Names & synonyms
SCHEMBL15140152OFPJANVXZZCTQS-UHFFFAOYSA-NN-[2-(1,1-dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-5-methylquinolin-4-yl]propane-1,3-diamine
Database identifiers
- PubChem CID
- 89713301
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 96.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 637
Related reactions
1 records
Compound notes
Loading…