이름: 1-{3-[2-(4-chlorophenyl)-5-methyl-1H-indol-3-yl]-1-oxopropyl}-4-(2-methoxyphenyl)piperazine
SMILES:
COc1ccccc1N1CCN(C(=O)CCc2c(-c3ccc(Cl)cc3)[nH]c3ccc(C)cc23)CC1Molecular Processing
Molecular formula
C29H30ClN3O2
Molecular weight
488.03
Exact mass
487.2027
XLogP
6.09
TPSA
48.57
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.276
Molar refractivity
143.59
Supplementary Information
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