Basic information
- Standard SMILES
Cc1ccc2nc(N3CCS(=O)(=O)c4ccccc4C3)cc(NCC3CCCCN3)c2c1- InChIKey
ZGYBBPWLESCFLM-UHFFFAOYSA-N- Molecular formula
- C25H30N4O2S
- Average molar mass
- 450.6 g/mol
- Monoisotopic mass
- 450.20894739
Names & identifiers
- Preferred name
- 2-(1,1-Dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methyl-N-(piperidin-2-ylmethyl)quinolin-4-amine
- IUPAC
- 2-(1,1-dioxo-3,5-dihydro-2H-1lambda6,4-benzothiazepin-4-yl)-6-methyl-N-(piperidin-2-ylmethyl)quinolin-4-amine
Names & synonyms
SCHEMBL14704799ZGYBBPWLESCFLM-UHFFFAOYSA-N2-(1,1-Dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methyl-N-(piperidin-2-ylmethyl)quinolin-4-amine
Database identifiers
- PubChem CID
- 71262201
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 726
Related reactions
1 records
Compound notes
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