(3RS)-1-(3-azabicyclo[3.2.2]non-3-yl)carbonylmethyl-2,3-dihydro-3-(3-hydroxyphenyl)carbonylamino-5-(2-fluorophenyl)-1H-1,4-benzodiazepin-2-one

HCID 19081329
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(NC1N=C(c2ccccc2F)c2ccccc2N(CC(=O)N2CC3CCC(CC3)C2)C1=O)c1cccc(O)c1
InChIKey
WSPZJDZNSDVOAQ-UHFFFAOYSA-N
Molecular formula
C32H31FN4O4
Average molar mass
554.6 g/mol

Names & identifiers

Preferred name
(3RS)-1-(3-azabicyclo[3.2.2]non-3-yl)carbonylmethyl-2,3-dihydro-3-(3-hydroxyphenyl)carbonylamino-5-(2-fluorophenyl)-1H-1,4-benzodiazepin-2-one
IUPAC
N-[1-[2-(3-azabicyclo[3.2.2]nonan-3-yl)-2-oxoethyl]-5-(2-fluorophenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-hydroxybenzamide

Names & synonyms

SCHEMBL8773969WSPZJDZNSDVOAQ-UHFFFAOYSA-N(3RS)-1-(3-azabicyclo[3.2.2]non-3-yl)carbonylmethyl-2,3-dihydro-3-(3-hydroxyphenyl)carbonylamino-5-(2-fluorophenyl)-1H-1,4-benzodiazepin-2-one

Database identifiers

PubChem CID
19081329

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
102 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
41

Related reactions

2 records
New reaction record

Linked notes

Loading…

(3RS)-1-(3-azabicyclo[3.2.2]non-3-yl)carbonylmethyl-2,3-dihydro-3-(3-hydroxyphenyl)carbonylamino-5-(2-fluorophenyl)-1H-1,4-benzodiazepin-2-one (HCID 19081329)｜Huagongshe