Name: methyl [2-methyl-4-p-tolyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-b]pyridin-3-yl]pentanoate
SMILES:
CCCC(C(=O)OC)c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1)CCCC3Molecular Processing
Molecular formula
C25H29NO2S
Molecular weight
407.58
Exact mass
407.1919
XLogP
6.52
TPSA
39.19
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
120.84
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→