Name: (R)-1-(4-(6-benzyl-2-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperazin-1-yl)ethanone
SMILES:
CC(=O)N1CCN(c2nc(Cl)nc3c2CN(Cc2ccccc2)CC3)[C@H](C)C1Molecular Processing
Molecular formula
C21H26ClN5O
Molecular weight
399.93
Exact mass
399.1826
XLogP
2.75
TPSA
52.57
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.476
Molar refractivity
110.36
Supplementary Information
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