N'-TERT-BUTYL-N'-(2-METHOXYBENZOYL)-2,2,4-TRIMETHYL-2,3-DIHYDROBENZOFURAN-5-CARBOHYDRAZIDE

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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 ULNJOJIDPCIUDV-UHFFFAOYSA-N
Smiles COc1ccccc1C(=O)N(NC(=O)c2ccc3OC(C)(C)Cc3c2C)C(C)(C)C
InChI
InChI=1S/C24H30N2O4/c1-15-16(12-13-20-18(15)14-24(5,6)30-20)21(27)25-26(23(2,3)4)22(28)17-10-8-9-11-19(17)29-7/h8-13H,14H2,1-7H3,(H,25,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H30N2O4
Molecular Weight 410.51
AlogP 4.12
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 67.87
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 30.0

Cross References

Resources Reference
ChEMBL CHEMBL2229376
PubChem 42597086
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