이름: 1-[9-chloro-1-(2-chloro-4-methoxyphenyl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl]propan-1-ol
SMILES:
CCC(O)c1ccc(Cl)c2nc3n(c12)CCCN3c1ccc(OC)cc1ClMolecular Processing
Molecular formula
C20H21Cl2N3O2
Molecular weight
406.31
Exact mass
405.1011
XLogP
5.34
TPSA
50.52
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
109.62
Supplementary Information
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