CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Br)N4CCOCC4)F
이름: 1-[4-[4-(5-bromo-2-morpholin-4-ylbenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone
SMILES: CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Br)N4CCOCC4)F

Molecular Processing

Molecular formula
C23H25BrFN3O3
Molecular weight
490.37
Exact mass
489.1063
XLogP
3.59
TPSA
53.09
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
121.7

Supplementary Information

InChIKey: OAXOCFSEJVQHJF-UHFFFAOYSA-N
동의어
CHEMBL497380SCHEMBL3931232OAXOCFSEJVQHJF-UHFFFAOYSA-NBDBM502651361-(4-(4-(5-bromo-2-morpholinobenzoyl)piperazin-1-yl)-3-fluorophenyl)ethanone1-{4-[4-(5-Bromo-2-morpholin-4-yl-benzoyl)-piperazin-1-yl]-3-fluoro-phenyl}-ethanone
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