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Chemical ID: 6004418
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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