الاسم: ethyl 4-(4-allyl-1,4-diazepan-1-yl)benzoate
SMILES:
C=CCN1CCCN(c2ccc(C(=O)OCC)cc2)CC1Molecular Processing
Molecular formula
C17H24N2O2
Molecular weight
288.39
Exact mass
288.1838
XLogP
2.56
TPSA
32.78
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
85.87
Supplementary Information
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