이름: 1-(2-(4-((2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino)piperidin-1-yl)ethyl)-7-bromoquinoxalin-2(1H)-one
SMILES:
O=c1cnc2ccc(Br)cc2n1CCN1CCC(NCc2ccc3c(c2)OCCO3)CC1Molecular Processing
Molecular formula
C24H27BrN4O3
Molecular weight
499.41
Exact mass
498.1267
XLogP
3.18
TPSA
68.62
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
127.44
Supplementary Information
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