SMILES:
COc1ccc2c(c1)C(=NNC(N)=O)C(=O)N2CCN(C(C)C)C(C)CMolecular Processing
Molecular formula
C18H27N5O3
Molecular weight
361.45
Exact mass
361.2114
XLogP
1.53
TPSA
100.26
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
101.58
Supplementary Information
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