이름: 3-(5-(4-chlorobenzyl)-6-(3-chlorophenoxy)-1-methyl-2,4-dioxo-1,2-dihydro pyrido[3,4-d]pyrimidin-3(4H)-yl)propyl formate
SMILES:
Cn1c(=O)n(CCCOC=O)c(=O)c2c(Cc3ccc(Cl)cc3)c(Oc3cccc(Cl)c3)ncc21Molecular Processing
Molecular formula
C25H21Cl2N3O5
Molecular weight
514.37
Exact mass
513.0858
XLogP
4.35
TPSA
92.42
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
35
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
133.66
Supplementary Information
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