Name: methyl [2-methyl-4-(3,4-dichlorophenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-b]pyridin-3-yl]pentanoate
SMILES:
CCCC(C(=O)OC)c1c(C)nc2sc3c(c2c1-c1ccc(Cl)c(Cl)c1)CCCC3Molecular Processing
Molecular formula
C24H25Cl2NO2S
Molecular weight
462.44
Exact mass
461.0983
XLogP
7.51
TPSA
39.19
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
126.12
Supplementary Information
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