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Chemical ID: 7460290
Chemical ID:
7460290
Name [?]:
N-[5-(2-furyl)-3H-1,3,4-thiadiazol-2-ylidene]-2-(3-methylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1)OCC(=O)N=c2[nH]nc(s2)c3ccco3
InChi [?]:
InChI=1/C15H13N3O3S/c1-10-4-2-5-11(8-10)21-9-13(19)16-15-18-17-14(22-15)12-6-3-7-20-12/h2-8H,9H2,1H3,(H,16,18,19)
InChi Info:
AuxInfo=1/1/N:1,4,20,3,5,19,21,7,9,2,6,18,10,16,13,12,15,14,11,22,8,17/rA:22nCCCCCCCOCCONCNNCSCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;w12;s13;s14;d15;s13s16;s16;d18;s19;d20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13N3O3S |
All Atoms: | 35 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.28779 |
Area: | 519.329 |
Solvation: | -4.69542 |
Coulombic: | -42.0261 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 315.348 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.84 |
LogP (Chemaxon): | 3.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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