trans-1-[2-(1,1-Dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylquinolin-4-yl]-4-fluoropyrrolidin-3-amine

HCID 71255841
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Basic information

Standard SMILES
Cc1ccc2nc(N3CCS(=O)(=O)c4ccccc4C3)cc(N3C[C@@H](N)[C@H](F)C3)c2c1
InChIKey
FBULNEGSGZTLQE-RTBURBONSA-N
Molecular formula
C23H25FN4O2S
Average molar mass
440.5 g/mol
Monoisotopic mass
440.16822539

Names & identifiers

Preferred name
trans-1-[2-(1,1-Dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylquinolin-4-yl]-4-fluoropyrrolidin-3-amine
IUPAC
(3R,4R)-1-[2-(1,1-dioxo-3,5-dihydro-2H-1λ6,4-benzothiazepin-4-yl)-6-methylquinolin-4-yl]-4-fluoropyrrolidin-3-amine

Names & synonyms

SCHEMBL14692835FBULNEGSGZTLQE-RTBURBONSA-Ntrans-1-[2-(1,1-Dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)-6-methylquinolin-4-yl]-4-fluoropyrrolidin-3-amine

Database identifiers

PubChem CID
71255841

Properties

Computed structural properties

XLogP
3
Topological polar surface area
87.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
2
Heavy atoms
31

Related reactions

1 records
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Compound notes

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