Name: 4-chloro-5-(2-isopropyl-4,5-dimethoxy-benzyl)-2-methylsulfanyl-pyrimidine
SMILES:
COc1cc(Cc2cnc(SC)nc2Cl)c(C(C)C)cc1OCMolecular Processing
Molecular formula
C17H21ClN2O2S
Molecular weight
352.89
Exact mass
352.1012
XLogP
4.58
TPSA
44.24
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
95.26
Supplementary Information
Details werden geladen…
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