Nom: 4-(3-(aminomethyl)phenylthio)-N-(4-morpholinophenyl)pyrimidin-2-amine
SMILES:
NCc1cccc(Sc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1Molecular Processing
Molecular formula
C21H23N5OS
Molecular weight
393.52
Exact mass
393.1623
XLogP
3.67
TPSA
76.3
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
113.25
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→