CCCC(CC(O)C(CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)C
SMILES: CCCC(CC(O)C(CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)C

Molecular Processing

Molecular formula
C31H51ClN4O5
Molecular weight
595.23
Exact mass
594.3548
XLogP
4.99
TPSA
111.21
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
41
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.71
Molar refractivity
164.1

Supplementary Information

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