3-fluoro-6-[3-(3-methoxypropyl)-4-methylpiperazin-1-yl]-8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepine

HCID 136394841
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Basic information

Standard SMILES
COCCCC1CN(C2=Nc3cc(F)ccc3Nc3ccc(C(F)(F)F)cc32)CCN1C
InChIKey
OTBMVRGZWDFOEV-UHFFFAOYSA-N
Molecular formula
C23H26F4N4O
Average molar mass
450.5 g/mol
Monoisotopic mass
450.20427411

Names & identifiers

Preferred name
3-fluoro-6-[3-(3-methoxypropyl)-4-methylpiperazin-1-yl]-8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepine
IUPAC
3-fluoro-6-[3-(3-methoxypropyl)-4-methylpiperazin-1-yl]-8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepine

Names & synonyms

SCHEMBL4836862

Database identifiers

PubChem CID
136394841

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
40.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
32

Related reactions

1 records
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Compound notes

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