Name: [2-methyl-4-(m-tolyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-b]pyridin-3-yl]pentanoate
SMILES:
CCCCC(=O)Oc1c(C)nc2sc3c(c2c1-c1cccc(C)c1)CCCC3Molecular Processing
Molecular formula
C24H27NO2S
Molecular weight
393.55
Exact mass
393.1763
XLogP
6.55
TPSA
39.19
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
116.33
Supplementary Information
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