이름: 3-(2-(4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepan-1-yl)ethyl)-3-phenylpyrrolidine hydrochloric acid salt
SMILES:
CCOCCn1c(N2CCCN(CCC3(c4ccccc4)CCNC3)CC2)nc2ccccc21.ClMolecular Processing
Molecular formula
C28H40ClN5O
Molecular weight
498.12
Exact mass
497.2921
XLogP
4.33
TPSA
45.56
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
35
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.536
Molar refractivity
146.97
Supplementary Information
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