Name: methyl trans-2-[3-(6,7-dichloro-3,4-dihydro-4-oxothieno[3,2-d]pyrimidin-3-yl)-2-oxopropyl]-3-methoxy-1-piperidinecarboxylate
SMILES:
COC(=O)N1CCC[C@@H](OC)[C@@H]1CC(=O)Cn1cnc2c(Cl)c(Cl)sc2c1=OMolecular Processing
Molecular formula
C17H19Cl2N3O5S
Molecular weight
448.33
Exact mass
447.0422
XLogP
2.97
TPSA
90.73
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
106.45
Supplementary Information
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