이름: 9-chloro-1-(2-chloro-4-methoxyphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole-6-carbaldehyde
SMILES:
COc1ccc(N2CCCn3c2nc2c(Cl)ccc(C=O)c23)c(Cl)c1Molecular Processing
Molecular formula
C18H15Cl2N3O2
Molecular weight
376.24
Exact mass
375.0541
XLogP
4.71
TPSA
47.36
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
25
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
0.222
Molar refractivity
99.76
Supplementary Information
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