CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)O.O=C(n1ccnc1)n1ccnc1
SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)O.O=C(n1ccnc1)n1ccnc1

Molecular Processing

Molecular formula
C21H25N5O5
Molecular weight
427.46
Exact mass
427.1856
XLogP
2.8
TPSA
128.34
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
31
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.286
Molar refractivity
111.59

Supplementary Information

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