이름: ethyl 3-{4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]cyclohex-1-enyl)benzoate
SMILES:
CCOC(=O)c1cccc(C2=CCC(NC(=O)c3nc(Cl)c(CC)[nH]3)CC2)c1Molecular Processing
Molecular formula
C21H24ClN3O3
Molecular weight
401.89
Exact mass
401.1506
XLogP
4.17
TPSA
84.08
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
108.46
Supplementary Information
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