Name: ethyl 4-(4-cyclopropyl-1,4-diazepan-1-yl)benzoate
SMILES:
CCOC(=O)c1ccc(N2CCCN(C3CC3)CC2)cc1Molecular Processing
Molecular formula
C17H24N2O2
Molecular weight
288.39
Exact mass
288.1838
XLogP
2.54
TPSA
32.78
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
83.82
Supplementary Information
Details werden geladen…
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