N-{[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl}-3-(pyridin-2-yl)propanamide monohydrochloride

HCID 66976608
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Basic information

Standard SMILES
Cl.O=C(CCc1ccccn1)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1
InChIKey
DVCBOBDWLVGJTH-QNNMEKCMSA-N
Molecular formula
C20H24Cl2FN3O2
Average molar mass
428.3 g/mol

Names & identifiers

Preferred name
N-{[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl}-3-(pyridin-2-yl)propanamide monohydrochloride
IUPAC
N-[[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl]-3-pyridin-2-ylpropanamide;hydrochloride

Names & synonyms

SCHEMBL1281398DVCBOBDWLVGJTH-QNNMEKCMSA-NN-{[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl}-3-(pyridin-2-yl)propanamide monohydrochloride

Database identifiers

PubChem CID
66976608

Properties

Computed structural properties

Topological polar surface area
63.3 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
28

Related reactions

1 records
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Linked notes

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