이름: [1-(4-bromo-2-chlorophenyl)-9-chloro-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl]methanol
SMILES:
OCc1ccc(Cl)c2nc3n(c12)CCCN3c1ccc(Br)cc1ClMolecular Processing
Molecular formula
C17H14BrCl2N3O
Molecular weight
427.13
Exact mass
424.9697
XLogP
5.14
TPSA
41.29
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
24
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
101.44
Supplementary Information
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