CN1C2=NC=C(C(=C2C(=O)N(C1=O)CCCOC3CCCCO3)C(C4=CC=C(C=C4)Cl)O)Br
الاسم: 6-bromo-5-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-3-[3-(oxan-2-yloxy)propyl]pyrido[2,3-d]pyrimidine-2,4-dione
SMILES: CN1C2=NC=C(C(=C2C(=O)N(C1=O)CCCOC3CCCCO3)C(C4=CC=C(C=C4)Cl)O)Br

Molecular Processing

Molecular formula
C23H25BrClN3O5
Molecular weight
538.83
Exact mass
537.0666
XLogP
3.53
TPSA
95.58
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
128.62

Supplementary Information

InChIKey: DJCIFNUTTYAOHE-UHFFFAOYSA-N
مرادفات
SCHEMBL17509055DJCIFNUTTYAOHE-UHFFFAOYSA-N6-bromo-5-((4-chlorophenyl)(hydroxy)methyl)-1-methyl-3-(3-((tetrahydro-2H-pyran-2-yl)oxy)propyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione6-bromo-5-((4-chlorophenyl)(hydroxy)methyl)-1-methyl-3-(3-(tetrahydro-2H-pyran-2-yloxy)propyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
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