名称: Ethyl 2-(1-benzyl-5-methyl-4-imidazolyl)-4-oxotetrahydrothiophene
SMILES:
CCC1(c2ncn(Cc3ccccc3)c2C)CC(=O)CS1Molecular Processing
Molecular formula
C17H20N2OS
Molecular weight
300.43
Exact mass
300.1296
XLogP
3.55
TPSA
34.89
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
86.56
Supplementary Information
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