Name: 4-cyclohexyl-5-[3-(dimethylamino)-2-methylprop-2-enoyl]-2-methylsulfanylthiophene-3-carbonitrile
SMILES:
CC(=CN(C)C)C(=O)C1=C(C(=C(S1)SC)C#N)C2CCCCC2Molecular Processing
Molecular formula
C18H24N2OS2
Molecular weight
348.54
Exact mass
348.133
XLogP
5.04
TPSA
44.1
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
23
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
0.556
Molar refractivity
98.42
Supplementary Information
InChIKey: GRJPCXRQSZGKIL-UHFFFAOYSA-N
Synonyme
SCHEMBL5755939GRJPCXRQSZGKIL-UHFFFAOYSA-N4-cyclohexyl-5-(3-dimethylamino-2-methyl-acryloyl)-2-methylsulfanyl-thiophene-3-carbonitrile
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