이름: methyl 9-chloro-1-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-6-carboxylate
SMILES:
COC(=O)c1ccc(Cl)c2nc3n(c12)CCCN3c1c(C)nc(OC)nc1CMolecular Processing
Molecular formula
C19H20ClN5O3
Molecular weight
401.85
Exact mass
401.1255
XLogP
3.43
TPSA
82.37
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
105.76
Supplementary Information
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