Name: 1-[2-(1-adamantyl)ethyl]-1-amino-3-[3-(4-pyridyl)propyl]urea dihydrochloride
SMILES:
Cl.Cl.NN(CCC12CC3CC(CC(C3)C1)C2)C(=O)NCCCc1ccncc1Molecular Processing
Molecular formula
C21H34Cl2N4O
Molecular weight
429.44
Exact mass
428.211
XLogP
4.35
TPSA
71.25
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
28
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
3
Fraction Csp3
0.714
Molar refractivity
116.57
Supplementary Information
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