CSC1=CC=CC(=C1)N(CCN2CCC(CC2)C(=O)C3=CC=C(C=C3)F)C(=O)C4=CC(=CC=C4)N
الاسم: 3-amino-N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(3-methylsulfanylphenyl)benzamide
SMILES: CSC1=CC=CC(=C1)N(CCN2CCC(CC2)C(=O)C3=CC=C(C=C3)F)C(=O)C4=CC(=CC=C4)N

Molecular Processing

Molecular formula
C28H30FN3O2S
Molecular weight
491.63
Exact mass
491.2043
XLogP
5.37
TPSA
66.64
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
140.65

Supplementary Information

InChIKey: QCDFXCMJPFOLNK-UHFFFAOYSA-N
مرادفات
SCHEMBL8713336QCDFXCMJPFOLNK-UHFFFAOYSA-N3-amino-N-{2-[4-(4-fluorobenzoyl)piperidino]ethyl}-N-(3-methylthiophenyl)benzamide
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