이름: 1-(4-bromo-2-chlorophenyl)-9-chloro-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-6-carbaldehyde
SMILES:
O=Cc1ccc(Cl)c2nc3n(c12)CCCN3c1ccc(Br)cc1ClMolecular Processing
Molecular formula
C17H12BrCl2N3O
Molecular weight
425.11
Exact mass
422.9541
XLogP
5.46
TPSA
38.13
H-bond donors
0
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
0.176
Molar refractivity
100.91
Supplementary Information
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