Name: ((2S,3R)-2-(((7-bromoquinazolin-2-yl)amino)methyl)-3-methylpiperidin-1-yl)(5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone
SMILES:
Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](C)[C@H]2CNc2ncc3ccc(Br)cc3n2)c1Molecular Processing
Molecular formula
C25H26BrN7O
Molecular weight
520.44
Exact mass
519.1382
XLogP
4.63
TPSA
88.83
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
34
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
135.05
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→