이름: 2-[4-({[3-methoxy-1-methyl-4-oxo-5-(pyridin-2-ylmethyl)-4,5-dihydro-1H-pyrrolo[3,2-c]quinolin-2-yl]carbonyl}amino)piperidin-1-yl]-2-oxoethyl acetate
SMILES:
COc1c(C(=O)NC2CCN(C(=O)COC(C)=O)CC2)n(C)c2c1c(=O)n(Cc1ccccn1)c1ccccc21Molecular Processing
Molecular formula
C29H31N5O6
Molecular weight
545.6
Exact mass
545.2274
XLogP
2.23
TPSA
124.76
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
40
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.345
Molar refractivity
148.28
Supplementary Information
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