Name: N-chloro-carbamoyl-4-[(4-cyclohexylphenylamino)methyl]benzoic acid methyl ester
SMILES:
COC(=O)c1ccc(CNc2ccc(C3CCCCC3)cc2)cc1C(=O)NClMolecular Processing
Molecular formula
C22H25ClN2O3
Molecular weight
400.91
Exact mass
400.1554
XLogP
5.02
TPSA
67.43
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
110.7
Supplementary Information
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