Name: Methyl[2-methyl-4-(tert-butyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-b]pyridin-3-yl]pentanoate
SMILES:
CCCC(C)(C(=O)[O-])c1c(C)nc2sc3c(c2c1C(C)(C)C)CCC3Molecular Processing
Molecular formula
C21H28NO2S-
Molecular weight
358.53
Exact mass
358.1846
XLogP
4.2
TPSA
53.02
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
-1
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
102.35
Supplementary Information
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