(+)-(R)-1-(2-ACETYLPHENYL)-3-(1-PHENYLETHYL)UREA

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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 LDGAUKBWRBJHRG-GFCCVEGCSA-N
Smiles C[C@@H](NC(=O)Nc1ccccc1C(=O)C)c2ccccc2
InChI
InChI=1S/C17H18N2O2/c1-12(14-8-4-3-5-9-14)18-17(21)19-16-11-7-6-10-15(16)13(2)20/h3-12H,1-2H3,(H2,18,19,21)/t12-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H18N2O2
Molecular Weight 282.34
AlogP 2.65
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 58.2
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 21.0

Cross References

Resources Reference
ChEMBL CHEMBL2271893
PubChem 76308839
CONTENTS