CCCC1CC(C(CN2CC(=O)N(c3ccccc3Cl)CC2(C)C)NC(=O)OC(C)(C)C)OC1=O
SMILES: CCCC1CC(C(CN2CC(=O)N(c3ccccc3Cl)CC2(C)C)NC(=O)OC(C)(C)C)OC1=O

Molecular Processing

Molecular formula
C26H38ClN3O5
Molecular weight
508.06
Exact mass
507.25
XLogP
4.39
TPSA
88.18
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
35
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.654
Molar refractivity
135.51

Supplementary Information

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