CC(C)Oc1ccccc1C1CCN(C(=O)c2cn(CC(=O)N3CCN(C)CC3)c3cc(Cl)ccc23)CC1
SMILES: CC(C)Oc1ccccc1C1CCN(C(=O)c2cn(CC(=O)N3CCN(C)CC3)c3cc(Cl)ccc23)CC1

Molecular Processing

Molecular formula
C30H37ClN4O3
Molecular weight
537.1
Exact mass
536.2554
XLogP
4.88
TPSA
58.02
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
38
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
151.11

Supplementary Information

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