4-[3-(methoxymethyl)piperazin-1-yl]-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepine

HCID 136384155
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Basic information

Standard SMILES
COCC1CN(C2=Nc3ccccc3Nc3sc(C)cc32)CCN1
InChIKey
JRMOIDTUDSFDTD-UHFFFAOYSA-N
Molecular formula
C18H22N4OS
Average molar mass
342.5 g/mol
Monoisotopic mass
342.15143251

Names & identifiers

Preferred name
4-[3-(methoxymethyl)piperazin-1-yl]-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepine
IUPAC
4-[3-(methoxymethyl)piperazin-1-yl]-2-methyl-10H-thieno[2,3-b][1,5]benzodiazepine

Names & synonyms

SCHEMBL4842063

Database identifiers

PubChem CID
136384155

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
77.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
24

Related reactions

2 records
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Compound notes

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