이름: [9-chloro-1-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl]methanol
SMILES:
COc1nc(C)c(N2CCCn3c2nc2c(Cl)ccc(CO)c23)c(C)n1Molecular Processing
Molecular formula
C18H20ClN5O2
Molecular weight
373.84
Exact mass
373.1306
XLogP
3.14
TPSA
76.3
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
100.35
Supplementary Information
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