Name: methyl [2-methyl-4-(2-thienyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-b]pyridin-3-yl]pentanoate
SMILES:
CCCC(C(=O)OC)c1c(C)nc2sc3c(c2c1-c1cccs1)CCC3Molecular Processing
Molecular formula
C21H23NO2S2
Molecular weight
385.55
Exact mass
385.117
XLogP
5.88
TPSA
39.19
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
26
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
0.429
Molar refractivity
109.36
Supplementary Information
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