CC1(C)CCC(N(C(=O)C(C)(C)CO)C2CCN(C(=O)C3CN(C(C)(C)C)CC3c3ccc(Cl)cc3)C2)CC1
SMILES: CC1(C)CCC(N(C(=O)C(C)(C)CO)C2CCN(C(=O)C3CN(C(C)(C)C)CC3c3ccc(Cl)cc3)C2)CC1

Molecular Processing

Molecular formula
C32H50ClN3O3
Molecular weight
560.22
Exact mass
559.3541
XLogP
5.57
TPSA
64.09
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
39
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
157.74

Supplementary Information

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