Name: Methyl[2-methyl-4-(2-furyl)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-b]pyridin-3-yl]pentanoate
SMILES:
CCCC(C)(C(=O)[O-])c1c(C)nc2sc3c(c2c1-c1ccco1)CCC3Molecular Processing
Molecular formula
C21H22NO3S-
Molecular weight
368.48
Exact mass
368.1326
XLogP
4.16
TPSA
66.16
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
-1
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
101.35
Supplementary Information
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