Name: N-(4-chlorobenzyl)-2-(chloromethyl)-3,7-dimethyl-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamide
SMILES:
Cc1c(CCl)sc2c1c(=O)c(C(=O)NCc1ccc(Cl)cc1)cn2CMolecular Processing
Molecular formula
C18H16Cl2N2O2S
Molecular weight
395.31
Exact mass
394.031
XLogP
4.23
TPSA
51.1
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
103.98
Supplementary Information
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