C1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C=CC3=CC(=CC=C3)C4=CC=C(C=C4)F
이름: 3-[3-(4-fluorophenyl)phenyl]-N-[4-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
SMILES: C1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C=CC3=CC(=CC=C3)C4=CC=C(C=C4)F

Molecular Processing

Molecular formula
C27H27FN2O
Molecular weight
414.52
Exact mass
414.2107
XLogP
6.13
TPSA
32.34
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
125.07

Supplementary Information

InChIKey: JPLRLCTUXDFCEI-UHFFFAOYSA-N
동의어
SCHEMBL5204680JPLRLCTUXDFCEI-UHFFFAOYSA-N1-(4-(3-(4-fluoro-phenyl)cinnamoylamino)benzyl)piperidine1-(4-(3-(4-fluoro-phenyl)-cinnamoylamino)benzyl)piperidine
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