Name: (S)-3-((4-(4-bromophenyl)piperazin-1-yl)methyl)-7,8,9,10-tetrahydro-5H-dipyrido[1,2-a:3′,2′-e]pyrazin-6(6aH)-one
SMILES:
O=C1Nc2cc(CN3CCN(c4ccc(Br)cc4)CC3)cnc2N2CCCC[C@@H]12Molecular Processing
Molecular formula
C22H26BrN5O
Molecular weight
456.39
Exact mass
455.1321
XLogP
3.48
TPSA
51.71
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
29
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
119.48
Supplementary Information
Details werden geladen…
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