Name: methyl 5-[1-hydroxy-2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-2-methoxybenzoate hydrochloride
SMILES:
COC(=O)c1cc(C(O)CN2CCN(c3ccccc3OC)CC2)ccc1OC.ClMolecular Processing
Molecular formula
C22H29ClN2O5
Molecular weight
436.94
Exact mass
436.1765
XLogP
2.77
TPSA
71.47
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.409
Molar refractivity
118.19
Supplementary Information
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