Name: 1-(6-phenylacetylenyl-2-benzothiazolyl)-3-ethylurea
SMILES:
CCNC(=O)Nc1nc2ccc(C#Cc3ccccc3)cc2s1Molecular Processing
Molecular formula
C18H15N3OS
Molecular weight
321.41
Exact mass
321.0936
XLogP
3.84
TPSA
54.02
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
94.74
Supplementary Information
Details werden geladen…
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