Basic information
- Standard SMILES
Cc1ccc2nc(N3CCS(=O)(=O)c4ccccc4C3)cc(NCCCCCCCCN)c2c1- InChIKey
SDKPDBDDURSMBO-UHFFFAOYSA-N- Molecular formula
- C27H36N4O2S
- Average molar mass
- 480.7 g/mol
- Monoisotopic mass
- 480.25589758
Names & identifiers
- Preferred name
- N-[2-(1,1-Dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylquinolin-4-yl]octane-1,8-diamine
- IUPAC
- N'-[2-(1,1-dioxo-3,5-dihydro-2H-1lambda6,4-benzothiazepin-4-yl)-6-methylquinolin-4-yl]octane-1,8-diamine
Names & synonyms
SCHEMBL14692862SDKPDBDDURSMBO-UHFFFAOYSA-NN-[2-(1,1-Dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylquinolin-4-yl]octane-1,8-diamine
Database identifiers
- PubChem CID
- 71255868
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 96.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 712
Related reactions
1 records
Compound notes
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