CC(c1ccc2c(c1)N1C(=NNC(=O)[C@H]1C)CO2)C1(C)CN(C(=O)OC(C)(C)C)C1
SMILES: CC(c1ccc2c(c1)N1C(=NNC(=O)[C@H]1C)CO2)C1(C)CN(C(=O)OC(C)(C)C)C1

Molecular Processing

Molecular formula
C22H30N4O4
Molecular weight
414.51
Exact mass
414.2267
XLogP
3.08
TPSA
83.47
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
30
Rings
4
Aromatic rings
1
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.591
Molar refractivity
113.78

Supplementary Information

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