Name: 3-[(trans-4-methyl-cyclohexanecarbonyl)-(tetrahydro-thiopyran-4-yl)-amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester
SMILES:
COC(=O)c1sc(-c2ccccc2)cc1N(C(=O)[C@H]1CC[C@H](C)CC1)C1CCSCC1Molecular Processing
Molecular formula
C25H31NO3S2
Molecular weight
457.66
Exact mass
457.1745
XLogP
6.26
TPSA
46.61
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
31
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
0.52
Molar refractivity
130.05
Supplementary Information
Details werden geladen…
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