Chemical ID: 7176591

Cn1c(cc(n1)c2nnc(o2)c3ccc(c(c3)OC)OC(F)F)C(F)(F)F
Chemical ID:
7176591
Name [?]:
2-[4-(difluoromethoxy)-3-methoxy-phenyl]-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1,3,4-oxadiazole
SMILES [?]:
Cn1c(cc(n1)c2nnc(o2)c3ccc(c(c3)OC)OC(F)F)C(F)(F)F
InChi [?]:
InChI=1/C15H11F5N4O3/c1-24-11(15(18,19)20)6-8(23-24)13-22-21-12(27-13)7-3-4-9(26-14(16)17)10(5-7)25-2/h3-6,14H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,13,14,17,4,12,5,15,16,3,10,7,21,24,22,23,25,26,27,9,8,6,2,18,20,11/E:(16,17)(18,19,20)/rA:27nCNCCCNCNNCOCCCCCCOCOCFFCFFF/rB:s1;s2;d3;s4;s2d5;s5;d7;s8;d9;s7s10;s10;s12;d13;s14;d15;d12s16;s16;s18;s15;s20;s21;s21;s3;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11F5N4O3
All Atoms:38
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:7.5346
Area:537.835
Solvation:-5.91128
Coulombic:-64.8879
Bond Count [?]
All:29
Single:22
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:390.265
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.55
LogP (Chemaxon):2.87

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Descriptor Annotations

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