Chemical ID: 6004418

Cc1ccc(cc1)c2nnc(s2)NC(=O)C(C)NC(=O)c3ccco3
Chemical ID:
6004418
Name [?]:
N-[1-[[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]carbamoyl]ethyl]furan-2-carboxamide
SMILES [?]:
Cc1ccc(cc1)c2nnc(s2)NC(=O)C(C)NC(=O)c3ccco3
InChi [?]:
InChI=1/C17H16N4O3S/c1-10-5-7-12(8-6-10)16-20-21-17(25-16)19-14(22)11(2)18-15(23)13-4-3-9-24-13/h3-9,11H,1-2H3,(H,18,23)(H,19,21,22)
InChi Info:
AuxInfo=1/1/N:1,17,23,22,3,7,4,6,24,2,16,5,21,14,19,8,11,18,13,9,10,15,20,25,12/E:(5,6)(7,8)/rA:25cCCCCCCCCNNCSNCOCCNCOCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;s16;s18;d19;s19;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N4O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.4336
Area:582.47
Solvation:-4.12814
Coulombic:-56.1767
Bond Count [?]
All:27
Single:18
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:356.4
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.01
LogP (Chemaxon):2.19

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