Name: 5-cyclohex-1-enyl-3-[(trans-4-hydroxy-cyclohexyl)-(trans-4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid
SMILES:
C[C@H]1CC[C@H](C(=O)N(c2cc(C3=CCCCC3)sc2C(=O)O)[C@H]2CC[C@H](O)CC2)CC1Molecular Processing
Molecular formula
C25H35NO4S
Molecular weight
445.63
Exact mass
445.2287
XLogP
5.87
TPSA
77.84
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.68
Molar refractivity
124.59
Supplementary Information
Details werden geladen…
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