Nom: methyl ester
SMILES:
COC(=O)c1ccc2c(SC)cn(-c3ncc(-c4cc(C)ccn4)cn3)c2c1Molecular Processing
Molecular formula
C21H18N4O2S
Molecular weight
390.47
Exact mass
390.115
XLogP
4.3
TPSA
69.9
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
109.95
Supplementary Information
Récupération des détails…
Impliqué dans 3 réactions→