Name: 5-((4-chlorophenyl)(hydroxy)methyl)-6-(2-isopropylphenyl)-1-methyl-3-(3-(tetrahydro-2H-pyran-2-yloxy)propyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
SMILES:
CC(C)c1ccccc1-c1cnc2c(c1C(O)c1ccc(Cl)cc1)c(=O)n(CCCOC1CCCCO1)c(=O)n2CMolecular Processing
Molecular formula
C32H36ClN3O5
Molecular weight
578.11
Exact mass
577.2343
XLogP
5.55
TPSA
95.58
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
41
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.406
Molar refractivity
160.44
Supplementary Information
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