Basic information
- Standard SMILES
Cc1ccc2nc(N3CCS(=O)(=O)c4ccccc4C3)cc(NCCOCCN)c2c1- InChIKey
CFMLSGOYKOTIOQ-UHFFFAOYSA-N- Molecular formula
- C23H28N4O3S
- Average molar mass
- 440.6 g/mol
- Monoisotopic mass
- 440.18821194
Names & identifiers
- Preferred name
- N-[2-(2-Aminoethoxy)ethyl]-2-(1,1-dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylquinolin-4-amine
- IUPAC
- N-[2-(2-aminoethoxy)ethyl]-2-(1,1-dioxo-3,5-dihydro-2H-1lambda6,4-benzothiazepin-4-yl)-6-methylquinolin-4-amine
Names & synonyms
SCHEMBL14691875CFMLSGOYKOTIOQ-UHFFFAOYSA-NN-[2-(2-Aminoethoxy)ethyl]-2-(1,1-dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylquinolin-4-amine
Database identifiers
- PubChem CID
- 71255183
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 670
Related reactions
1 records
Compound notes
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