CC1CCC(CC1)C(=O)N(C2CCC(=O)CC2)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)OC
الاسم: methyl 3-[(4-methylcyclohexanecarbonyl)-(4-oxocyclohexyl)amino]-5-phenylthiophene-2-carboxylate
SMILES: CC1CCC(CC1)C(=O)N(C2CCC(=O)CC2)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)OC

Molecular Processing

Molecular formula
C26H31NO4S
Molecular weight
453.6
Exact mass
453.1974
XLogP
5.87
TPSA
63.68
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
126.97

Supplementary Information

InChIKey: SEHRWPYBERGLJD-UHFFFAOYSA-N
مرادفات
SCHEMBL323707SCHEMBL2879122SEHRWPYBERGLJD-UHFFFAOYSA-N3-[(4-Methyl-cyclohexanecarbonyl)-(4-oxo-cyclohexyl)-amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester
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