Name: 3-[6-bromo-5-[(4-chlorophenyl)methyl]-1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]propyl formate
SMILES:
Cn1c(=O)n(CCCOC=O)c(=O)c2c(Cc3ccc(Cl)cc3)c(Br)cnc21Molecular Processing
Molecular formula
C19H17BrClN3O4
Molecular weight
466.72
Exact mass
465.0091
XLogP
2.67
TPSA
83.19
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
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
0.263
Molar refractivity
109.84
Supplementary Information
InChIKey: VJGJHHOAGGIOFR-UHFFFAOYSA-N
Synonyme
SCHEMBL17509556VJGJHHOAGGIOFR-UHFFFAOYSA-N3-(6-bromo-5-(4-chlorobenzyl)-1-methyl-2,4-dioxo-1,2-dihydropyrido[2,3-d]pyrimidin-3(4H)-yl)propyl formate
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