COc1ccccc1N1CCN(C(=O)CCc2c(-c3ccc(Cl)cc3)n(C)c3ccc(C)cc23)CC1
SMILES: COc1ccccc1N1CCN(C(=O)CCc2c(-c3ccc(Cl)cc3)n(C)c3ccc(C)cc23)CC1

Molecular Processing

Molecular formula
C30H32ClN3O2
Molecular weight
502.06
Exact mass
501.2183
XLogP
6.1
TPSA
37.71
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
36
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
0.3
Molar refractivity
148.21

Supplementary Information

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