名称: 3-(3,5-dichloro-phenyl)-1-[4-(4-iodo-phenyl)-piperidin-4-ylmethyl]-1-methyl-urea
SMILES:
CN(CC1(c2ccc(I)cc2)CCNCC1)C(=O)Nc1cc(Cl)cc(Cl)c1Molecular Processing
Molecular formula
C20H22Cl2IN3O
Molecular weight
518.23
Exact mass
517.0185
XLogP
5.38
TPSA
44.37
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
121.05
Supplementary Information
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