Name: Ethyl 5-(4-methyl-1,4-diazepan-1-yl)thiophene-2-carboxylate
SMILES:
CCOC(=O)c1ccc(N2CCCN(C)CC2)s1Molecular Processing
Molecular formula
C13H20N2O2S
Molecular weight
268.38
Exact mass
268.1245
XLogP
2.07
TPSA
32.78
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
74.6
Supplementary Information
Details werden geladen…
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