Name: methyl 3-(6-(4-chlorophenyl)-1,5-dimethyl-2,4-dioxo-1,2-dihydrothieno[2,3-d]pyrimidin-3(4H)-yl)propanoate
SMILES:
COC(=O)CCn1c(=O)c2c(C)c(-c3ccc(Cl)cc3)sc2n(C)c1=OMolecular Processing
Molecular formula
C18H17ClN2O4S
Molecular weight
392.86
Exact mass
392.0598
XLogP
2.95
TPSA
70.3
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
103.14
Supplementary Information
Details werden geladen…
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