이름: 6-chloro-3-[1-[[5-(4-fluorophenyl)oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILES:
C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CC4CC(OC4)C5=CC=C(C=C5)FMolecular Processing
Molecular formula
C23H25ClFN3O2
Molecular weight
429.92
Exact mass
429.1619
XLogP
4.54
TPSA
50.26
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
115.48
Supplementary Information
InChIKey: BBLYIHTULYUGMF-UHFFFAOYSA-N
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