Nombre: 3-[7-bromo-5-[(4-chlorophenyl)methyl]-1-methyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-3-yl]propyl acetate
SMILES:
CC(=O)OCCCN1C(=O)C2=C(C(=CN2CC3=CC=C(C=C3)Cl)Br)N(C1=O)CMolecular Processing
Molecular formula
C19H19BrClN3O4
Molecular weight
468.74
Exact mass
467.0247
XLogP
2.92
TPSA
75.23
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
110.94
Supplementary Information
InChIKey: LXCJEYBSTMPAQA-UHFFFAOYSA-N
Sinónimos
SCHEMBL17493258LXCJEYBSTMPAQA-UHFFFAOYSA-N3-(7-bromo-5-(4-chlorobenzyl)-1-methyl-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidin-3(2H,4H,5H)-yl)propyl acetate
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