SMILES:
CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1nc(Cl)c(C(C)C)[nH]1Molecular Processing
Molecular formula
C18H29ClN4O4
Molecular weight
400.91
Exact mass
400.1877
XLogP
2.94
TPSA
96.55
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.722
Molar refractivity
102.16
Supplementary Information
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