COCC=Cc1cnc(Cl)cc1NCC1CCN(C(=O)OC(C)(C)C)CC1
SMILES: COCC=Cc1cnc(Cl)cc1NCC1CCN(C(=O)OC(C)(C)C)CC1

Molecular Processing

Molecular formula
C20H30ClN3O3
Molecular weight
395.93
Exact mass
395.1976
XLogP
4.45
TPSA
63.69
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
27
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
109.18

Supplementary Information

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