Name: N-[[1-[(2-benzothienylcarbonyl)amino]cyclohexyl]carbonyl]-L-methioninol
SMILES:
CSCC[C@@H](CO)NC(=O)C1(NC(=O)c2cc3ccccc3s2)CCCCC1Molecular Processing
Molecular formula
C21H28N2O3S2
Molecular weight
420.6
Exact mass
420.1541
XLogP
3.56
TPSA
78.43
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
117.12
Supplementary Information
Details werden geladen…
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