Name: N-[4-[1-(4-chlorophenyl)cyclobutyl]-1,3-thiazol-2-yl]-N',N'-diethylpropane-1,3-diamine
SMILES:
CCN(CC)CCCNC1=NC(=CS1)C2(CCC2)C3=CC=C(C=C3)ClMolecular Processing
Molecular formula
C20H28ClN3S
Molecular weight
377.99
Exact mass
377.1692
XLogP
5.41
TPSA
28.16
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
109.09
Supplementary Information
InChIKey: SETUXQJDXRGVGZ-UHFFFAOYSA-N
Synonyme
SCHEMBL5844429SETUXQJDXRGVGZ-UHFFFAOYSA-NN'-{4-[1-(4-chlorophenyl)cyclobutyl]thiazol-2-yl}-N,N-diethylpropane-1,3-diamine
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