Nom: acetyl amide
SMILES:
CCNC(=O)N1N=C(c2ccc(NC(C)=O)cc2)c2cc(SC)ccc2C1CMolecular Processing
Molecular formula
C21H24N4O2S
Molecular weight
396.52
Exact mass
396.162
XLogP
4.23
TPSA
73.8
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
113.93
Supplementary Information
Récupération des détails…
Impliqué dans 6 réactions→