Nombre: 3-(5-(4-chlorobenzyl)-7-(3-chlorophenyl)-1-methyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidin-3(2H,4H,5H)-yl)propyl acetate
SMILES:
CC(=O)OCCCn1c(=O)c2c(c(-c3cccc(Cl)c3)cn2Cc2ccc(Cl)cc2)n(C)c1=OMolecular Processing
Molecular formula
C25H23Cl2N3O4
Molecular weight
500.38
Exact mass
499.1066
XLogP
4.48
TPSA
75.23
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
133.69
Supplementary Information
Obteniendo detalles…
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