Name: methyl [2-methyl-4-(pyridin-3-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-b]pyridin-3-yl]pentanoate
SMILES:
CCCC(C(=O)OC)c1c(C)nc2sc3c(c2c1-c1cccnc1)CCCC3Molecular Processing
Molecular formula
C23H26N2O2S
Molecular weight
394.54
Exact mass
394.1715
XLogP
5.6
TPSA
52.08
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
113.9
Supplementary Information
Details werden geladen…
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