CN(CC1(c2ccc(I)cc2)CCN(CC2CC2)CC1)C(=O)Nc1cc(Cl)cc(Cl)c1
Name: 1-[1-cyclopropylmethyl-4-(4-iodo-phenyl)-piperidin-4-ylmethyl]-3-(3,5-dichloro-phenyl)-1-methyl-urea
SMILES: CN(CC1(c2ccc(I)cc2)CCN(CC2CC2)CC1)C(=O)Nc1cc(Cl)cc(Cl)c1

Molecular Processing

Molecular formula
C24H28Cl2IN3O
Molecular weight
572.32
Exact mass
571.0654
XLogP
6.51
TPSA
35.58
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
137.35

Supplementary Information

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Involved in 3 reactions→

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