Chemical ID: 7460290

Cc1cccc(c1)OCC(=O)N=c2[nH]nc(s2)c3ccco3
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

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Descriptor Annotations

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