名称: 5-(3-Fluoro-phenyl)-3-[isopropyl-(4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid methyl ester
SMILES:
COC(=O)c1sc(-c2cccc(F)c2)cc1N(C(=O)C1CCC(C)CC1)C(C)CMolecular Processing
Molecular formula
C23H28FNO3S
Molecular weight
417.55
Exact mass
417.1774
XLogP
5.91
TPSA
46.61
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.478
Molar refractivity
114.8
Supplementary Information
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