2,3-Dihydro-5H-benzo[f][1,4]oxazepine-4-sulfonic acid [1-(4-amino-thieno[3,2-c]pyridin-2-ylmethyl)-2-(4-methyl-piperidin-1-yl)-2-oxo-ethyl]-amide

HCID 86756459

Basic information

Standard SMILES
CC1CCN(C(=O)C(Cc2cc3c(N)nccc3s2)NS(=O)(=O)N2CCOc3ccccc3C2)CC1
InChIKey
WZVZLGPJGQFXAL-UHFFFAOYSA-N
Molecular formula
C25H31N5O4S2
Average molar mass
529.7 g/mol
Monoisotopic mass
529.18174683

Names & identifiers

Preferred name
2,3-Dihydro-5H-benzo[f][1,4]oxazepine-4-sulfonic acid [1-(4-amino-thieno[3,2-c]pyridin-2-ylmethyl)-2-(4-methyl-piperidin-1-yl)-2-oxo-ethyl]-amide
IUPAC
N-[3-(4-aminothieno[3,2-c]pyridin-2-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepine-4-sulfonamide

Names & synonyms

WZVZLGPJGQFXAL-UHFFFAOYSA-N2,3-Dihydro-5H-benzo[f][1,4]oxazepine-4-sulfonic acid [1-(4-amino-thieno[3,2-c]pyridin-2-ylmethyl)-2-(4-methyl-piperidin-1-yl)-2-oxo-ethyl]-amide2.3-Dihydro-5H-benzo[f][1,4]oxazepine-4-sulfonic acid [1-(4-amino-thieno[32-c]pyridin-2-ylmethyl)-2-(4-methyl-piperidin-1-yl)-2-oxo-ethyl]-amide

Database identifiers

PubChem CID
86756459

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
154 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
36

Related reactions

5 records

Compound notes

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