Responsive image

Common name


sedaxane

IUPAC name


N-[2-[1,1'-bicyclopropyl]-2-ylphenyl]-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide

SMILES


Cn1cc(c(C(F)F)n1)C(=O)Nc1ccccc1C1CC1C1CC1

Compound class


Fungicide

Therapeutic area


Fungicide

Common name


sedaxane

IUPAC name


N-[2-[1,1'-bicyclopropyl]-2-ylphenyl]-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide

SMILES


Cn1cc(c(C(F)F)n1)C(=O)Nc1ccccc1C1CC1C1CC1

INCHI


InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)

FORMULA


C18H19F2N3O

Responsive image

Common name


sedaxane

IUPAC name


N-[2-[1,1'-bicyclopropyl]-2-ylphenyl]-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide

Molecular weight


331.360

clogP


3.937

clogS


-3.624

HBond Acceptor


3

HBond Donor


1

Total Polar
Surface Area


50.41

Number of Rings


4

Rotatable Bond


5

Drug ID Common name Structure CAS SMILE Frequency
FDBF00005 benzene Responsive image c1ccccc1 0.2824
FDBF00370 difluoromethane Responsive image FCF 0.0151
FDBF07542 cyclopropylcyclopropane Responsive image C1(CC1)C1CC1 0.0003
6 , 1