Basic information
- Standard SMILES
Cc1ccc2nc(N3CCS(=O)(=O)c4ccccc4C3)cc(NCCSCCN)c2c1- InChIKey
MPJSTWYSWBINIL-UHFFFAOYSA-N- Molecular formula
- C23H28N4O2S2
- Average molar mass
- 456.6 g/mol
Names & identifiers
- Preferred name
- N-{2-[(2-Aminoethyl)sulfanyl]ethyl}-2-(1,1-dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylquinolin-4-amine
- IUPAC
- N-[2-(2-aminoethylsulfanyl)ethyl]-2-(1,1-dioxo-3,5-dihydro-2H-1λ6,4-benzothiazepin-4-yl)-6-methylquinolin-4-amine
Names & synonyms
SCHEMBL14704775MPJSTWYSWBINIL-UHFFFAOYSA-NN-{2-[(2-Aminoethyl)sulfanyl]ethyl}-2-(1,1-dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylquinolin-4-amine
Database identifiers
- PubChem CID
- 71262178
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 671
Related reactions
1 records
Compound notes
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