SMILES:
CC12C=C(CCC(=O)CSc3ccccc3)C=CC1CC(=O)NC2=OMolecular Processing
Molecular formula
C20H21NO3S
Molecular weight
355.46
Exact mass
355.1242
XLogP
3.29
TPSA
63.24
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
97.99
Supplementary Information
Obteniendo detalles…
Participa en 1 reacciones→