7-Ethyl-4-(3-pyridin-3-yl-phenyl)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

HCID 22317536
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Basic information

Standard SMILES
CCc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-c3cccnc3)c1)=N2
InChIKey
ZDAHOPAZWJNMBF-UHFFFAOYSA-N
Molecular formula
C23H18F3N3O
Average molar mass
409.4 g/mol
Monoisotopic mass
409.14019669

Names & identifiers

Preferred name
7-Ethyl-4-(3-pyridin-3-yl-phenyl)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one
IUPAC
7-ethyl-4-(3-pyridin-3-ylphenyl)-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one

Names & synonyms

7-Ethyl-4-(3-pyridin-3-yl-phenyl)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-oneSCHEMBL5559479

Database identifiers

PubChem CID
22317536

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
54.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
30

Related reactions

2 records
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Compound notes

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