الاسم: 3-[(1,4-Dioxa-spiro[4.5]dec-8-yl)-(trans 4-methyl-cyclohexanecarbonyl)-amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester
SMILES:
COC(=O)c1sc(-c2ccccc2)cc1N(C(=O)[C@H]1CC[C@H](C)CC1)C1CCC2(CC1)OCCO2Molecular Processing
Molecular formula
C28H35NO5S
Molecular weight
497.66
Exact mass
497.2236
XLogP
6.05
TPSA
65.07
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
35
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
136.59
Supplementary Information
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