N-[(3RS)-1-{(3-azabicyclo[3.2.2]non-3-yl)-carbonylmethyl}-2,3-dihydro-5-(2-fluorophenyl)-2-oxo-1H-1,4-benzodiazepin-3-yl]-N'-(3-trifluoromethylphenyl)urea

HCID 19081333
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(Nc1cccc(C(F)(F)F)c1)NC1N=C(c2ccccc2F)c2ccccc2N(CC(=O)N2CC3CCC(CC3)C2)C1=O
InChIKey
BUHVDFIDSSPGLQ-UHFFFAOYSA-N
Molecular formula
C33H31F4N5O3
Average molar mass
621.6 g/mol
Monoisotopic mass
621.23630252

Names & identifiers

Preferred name
N-[(3RS)-1-{(3-azabicyclo[3.2.2]non-3-yl)-carbonylmethyl}-2,3-dihydro-5-(2-fluorophenyl)-2-oxo-1H-1,4-benzodiazepin-3-yl]-N'-(3-trifluoromethylphenyl)urea
IUPAC
1-[1-[2-(3-azabicyclo[3.2.2]nonan-3-yl)-2-oxoethyl]-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea

Names & synonyms

N-[(3RS)-1-{(3-azabicyclo[3.2.2]non-3-yl)-carbonylmethyl}-2,3-dihydro-5-(2-fluorophenyl)-2-oxo-1H-1,4-benzodiazepin-3-yl]-N'-(3-trifluoromethylphenyl)ureaSCHEMBL8774274

Database identifiers

PubChem CID
19081333

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
94.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
45

Related reactions

2 records
New reaction record

Linked notes

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