Chemical ID: 7220944

CCn1cc(c(n1)c2nnc(o2)c3ccc(c(c3)OC)OC(F)F)Cl
Chemical ID:
7220944
Name [?]:
2-(4-chloro-1-ethyl-pyrazol-3-yl)-5-[4-(difluoromethoxy)-3-methoxy-phenyl]-1,3,4-oxadiazole
SMILES [?]:
CCn1cc(c(n1)c2nnc(o2)c3ccc(c(c3)OC)OC(F)F)Cl
InChi [?]:
InChI=1/C15H13ClF2N4O3/c1-3-22-7-9(16)12(21-22)14-20-19-13(25-14)8-4-5-10(24-15(17)18)11(6-8)23-2/h4-7,15H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,14,15,18,4,13,5,16,17,6,11,8,22,25,23,24,10,9,7,3,19,21,12/E:(17,18)/rA:25nCCNCCCNCNNCOCCCCCCOCOCFFCl/rB:s1;s2;s3;d4;s5;s3d6;s6;d8;s9;d10;s8s11;s11;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s22;s22;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13ClF2N4O3
All Atoms:38
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.62194
Area:549.963
Solvation:-5.12715
Coulombic:-46.3621
Bond Count [?]
All:27
Single:20
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:370.738
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.58
LogP (Chemaxon):3.08

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Descriptor Annotations

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