2,3-Dihydro-2-[2-[[(4-methoxyphenyl)methyl]methylamino]ethyl]-4-methylpyrido[3,2-f]-1,4-oxazepine-5(4H)-thione

HCID 14098490
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Basic information

Standard SMILES
COc1ccc(CN(C)CCC2CN(C)C(=S)c3cccnc3O2)cc1
InChIKey
FYMHLOFZFITERO-UHFFFAOYSA-N
Molecular formula
C20H25N3O2S
Average molar mass
371.5 g/mol
Monoisotopic mass
371.16674822

Names & identifiers

Preferred name
2,3-Dihydro-2-[2-[[(4-methoxyphenyl)methyl]methylamino]ethyl]-4-methylpyrido[3,2-f]-1,4-oxazepine-5(4H)-thione
IUPAC
2-[2-[(4-methoxyphenyl)methyl-methylamino]ethyl]-4-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepine-5-thione

Names & synonyms

CHEMBL304097SCHEMBL10568089FYMHLOFZFITERO-UHFFFAOYSA-N2,3-Dihydro-2-[2-[[(4-methoxyphenyl)methyl]methylamino]ethyl]-4-methylpyrido[3,2-f]-1,4-oxazepine-5(4H)-thione

Database identifiers

PubChem CID
14098490
ChEMBL
CHEMBL304097

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
69.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
26

Related reactions

2 records
New reaction record

Linked notes

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