이름: 1-{1-[6-(5-nitro-2,3-dihydro-indole-1-carbonyl)-pyrimidin-4-yl]-piperidin-4-yl}-1,3-dihydro-imidazo[4,5-b]pyridin-2-one
SMILES:
O=C(c1cc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)ncn1)N1CCc2cc([N+](=O)[O-])ccc21Molecular Processing
Molecular formula
C24H22N8O4
Molecular weight
486.49
Exact mass
486.1764
XLogP
2.47
TPSA
143.15
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
36
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
131.35
Supplementary Information
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