CC1CC(O)c2ncnc(N3CC4(CCN(C(=O)OC(C)(C)C)CC4)c4cc(Cl)ccc43)c21
SMILES: CC1CC(O)c2ncnc(N3CC4(CCN(C(=O)OC(C)(C)C)CC4)c4cc(Cl)ccc43)c21

Molecular Processing

Molecular formula
C25H31ClN4O3
Molecular weight
471
Exact mass
470.2085
XLogP
5.09
TPSA
78.79
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
1
Heavy atoms
33
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.56
Molar refractivity
127.2

Supplementary Information

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