N-[4-[[N-methyl-N-(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-(2-propoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxamide

HCID 21995685
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Basic information

Standard SMILES
CCCOc1ccccc1-c1ccc2c(c1)C=C(C(=O)Nc1ccc(CN(C)C3CCOCC3)cc1)CCS2(=O)=O
InChIKey
LQMVWCKKKAIVTQ-UHFFFAOYSA-N
Molecular formula
C33H38N2O5S
Average molar mass
574.7 g/mol
Monoisotopic mass
574.25014349

Names & identifiers

Preferred name
N-[4-[[N-methyl-N-(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-(2-propoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxamide
IUPAC
N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-1,1-dioxo-7-(2-propoxyphenyl)-2,3-dihydro-1lambda6-benzothiepine-4-carboxamide

Names & synonyms

SCHEMBL7929652LQMVWCKKKAIVTQ-UHFFFAOYSA-NN-[4-[[N-methyl-N-(tetrahydropyran-4-yl)amino]methyl]phenyl]-7-(2-propoxyphenyl)-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxamide

Database identifiers

PubChem CID
21995685

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
93.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
41

Related reactions

2 records
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Compound notes

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