(-)-(S)-1-(3-ETHYLPHENYL)-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 UOVGHHVITJVIAD-ZDUSSCGKSA-N
Smiles CCc1cccc(NC(=O)N[C@@H](C)c2ccccc2)c1
InChI
InChI=1S/C17H20N2O/c1-3-14-8-7-11-16(12-14)19-17(20)18-13(2)15-9-5-4-6-10-15/h4-13H,3H2,1-2H3,(H2,18,19,20)/t13-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H20N2O
Molecular Weight 268.35
AlogP 3.85
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 41.13
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 20.0

Cross References

Resources Reference
ChEMBL CHEMBL2271859
PubChem 76326964
CONTENTS