이름: 2-(4-fluorophenyl)-N-methyl-5-[3-[(1-phenylcyclopropyl)carbamoyl]phenyl]-1-benzothiophene-3-carboxamide
SMILES:
CNC(=O)C1=C(SC2=C1C=C(C=C2)C3=CC(=CC=C3)C(=O)NC4(CC4)C5=CC=CC=C5)C6=CC=C(C=C6)FMolecular Processing
Molecular formula
C32H25FN2O2S
Molecular weight
520.63
Exact mass
520.1621
XLogP
7.15
TPSA
58.2
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
38
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
150.87
Supplementary Information
InChIKey: UIGOCIYIMXHULD-UHFFFAOYSA-N
동의어
SCHEMBL2439222UIGOCIYIMXHULD-UHFFFAOYSA-N2-(4-fluorophenyl)-N-methyl-5-(3-(1-phenylcyclopropylcarbamoyl)phenyl)benzo[b]thiophene-3-carboxamide
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