O=C(NCC(Cc1ccccc1)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccc(Cl)cc1
SMILES: O=C(NCC(Cc1ccccc1)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccc(Cl)cc1

Molecular Processing

Molecular formula
C27H26Cl3N3O2
Molecular weight
530.88
Exact mass
529.1091
XLogP
5.58
TPSA
52.65
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.259
Molar refractivity
142.68

Supplementary Information

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