Name: N-(o-ethoxycarbonylphenyl)-trans-4-guanidinomethylcyclohexanecarboxamide hydrochloride
SMILES:
CCOC(=O)c1ccccc1NC(=O)[C@H]1CC[C@H](CNC(=N)N)CC1.ClMolecular Processing
Molecular formula
C18H27ClN4O3
Molecular weight
382.89
Exact mass
382.1772
XLogP
2.51
TPSA
117.3
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.5
Molar refractivity
103.64
Supplementary Information
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