Name: Ethyl 3-[(2-acetylthiomethyl-3-phenylpropionyl)-amino]benzoate
SMILES:
CCOC(=O)c1cccc(NC(=O)C(CSC(C)=O)Cc2ccccc2)c1Molecular Processing
Molecular formula
C21H23NO4S
Molecular weight
385.49
Exact mass
385.1348
XLogP
3.94
TPSA
72.47
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
107.8
Supplementary Information
Details werden geladen…
An 8 Reaktionen beteiligt→