Chemical ID: 7455683

COc1ccc(cc1)c2n[nH]c(=NC(=O)c3ccco3)s2
Chemical ID:
7455683
Name [?]:
N-[5-(4-methoxyphenyl)-3H-1,3,4-thiadiazol-2-ylidene]furan-2-carboxamide
SMILES [?]:
COc1ccc(cc1)c2n[nH]c(=NC(=O)c3ccco3)s2
InChi [?]:
InChI=1/C14H11N3O3S/c1-19-10-6-4-9(5-7-10)13-16-17-14(21-13)15-12(18)11-3-2-8-20-11/h2-8H,1H3,(H,15,17,18)
InChi Info:
AuxInfo=1/1/N:1,18,17,5,7,4,8,19,6,3,16,14,9,12,13,10,11,15,2,20,21/E:(4,5)(6,7)/rA:21nCOCCCCCCCNNCNCOCCCCOS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;w12;s13;d14;s14;d16;s17;d18;s16s19;s9s12;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11N3O3S
All Atoms:32
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.91796
Area:497.68
Solvation:-3.52405
Coulombic:-44.0778
Bond Count [?]
All:23
Single:15
Double:8
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:301.322
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.63
LogP (Chemaxon):2.91

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