SMILES:
CNC(=O)c1cc(Oc2cc(N)c(NC)cc2OC)ccn1Molecular Processing
Molecular formula
C15H18N4O3
Molecular weight
302.33
Exact mass
302.1379
XLogP
1.87
TPSA
98.5
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
84.65
Supplementary Information
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