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-formylphenyl)urea

HCID 19081120
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Basic information

Standard SMILES
O=Cc1cccc(NC(=O)NC2N=C(c3ccccc3F)c3ccccc3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1
InChIKey
UJWCZHQMUYIXIR-UHFFFAOYSA-N
Molecular formula
C33H32FN5O4
Average molar mass
581.6 g/mol

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-formylphenyl)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-formylphenyl)urea

Names & synonyms

SCHEMBL8775305UJWCZHQMUYIXIR-UHFFFAOYSA-NN-[(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-formylphenyl)urea

Database identifiers

PubChem CID
19081120

Properties

Computed structural properties

XLogP
4
Topological polar surface area
111 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
43

Related reactions

2 records
New reaction record

Linked notes

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