CC1(C)CC2(CC(C)(C)N1c1nc(Cl)nc(N3CCOCC3)n1)OCCO2
SMILES: CC1(C)CC2(CC(C)(C)N1c1nc(Cl)nc(N3CCOCC3)n1)OCCO2

Molecular Processing

Molecular formula
C18H28ClN5O3
Molecular weight
397.91
Exact mass
397.1881
XLogP
2.26
TPSA
72.84
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
2
Heavy atoms
27
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
102.38

Supplementary Information

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