CCc1[nH]c(C(=O)N[C@H]2CCN(c3nc(C(=O)O)c(C)o3)C[C@H]2OC)nc1Cl
SMILES: CCc1[nH]c(C(=O)N[C@H]2CCN(c3nc(C(=O)O)c(C)o3)C[C@H]2OC)nc1Cl

Molecular Processing

Molecular formula
C17H22ClN5O5
Molecular weight
411.85
Exact mass
411.1309
XLogP
1.64
TPSA
133.58
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
100.06

Supplementary Information

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