N,N-DIETHYL-N'-TOSYLDODECANIMIDAMIDE

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Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key XDAYPCFPLCKKQU-VHXPQNKSSA-N
Smiles CCCCCCCCCCC\C(=N\S(=O)(=O)c1ccc(C)cc1)\N(CC)CC
InChI
InChI=1S/C23H40N2O2S/c1-5-8-9-10-11-12-13-14-15-16-23(25(6-2)7-3)24-28(26,27)22-19-17-21(4)18-20-22/h17-20H,5-16H2,1-4H3/b24-23-

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H40N2O2S
Molecular Weight 408.64
AlogP 6.3
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 15.0
Polar Surface Area 58.12
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 28.0

Cross References

Resources Reference
ChEMBL CHEMBL2286596
PubChem 76334571
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