이름: (S)-ethyl 6-(4-((6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3′,2′-e]pyrazin-3-yl)methyl)piperazin-1-yl)nicotinate
SMILES:
CCOC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)[C@@H]3CCCCN43)CC2)nc1Molecular Processing
Molecular formula
C24H30N6O3
Molecular weight
450.54
Exact mass
450.2379
XLogP
2.29
TPSA
90.9
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
33
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
125.54
Supplementary Information
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