Chemical ID: 4789385

Cn1c(nnc1SCC(=O)Nc2cccc(c2)F)c3ccco3
Chemical ID:
4789385
Name [?]:
N-(3-fluorophenyl)-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
Cn1c(nnc1SCC(=O)Nc2cccc(c2)F)c3ccco3
InChi [?]:
InChI=1/C15H13FN4O2S/c1-20-14(12-6-3-7-22-12)18-19-15(20)23-9-13(21)17-11-5-2-4-10(16)8-11/h2-8H,9H2,1H3,(H,17,21)
InChi Info:
AuxInfo=1/1/N:1,14,21,15,13,20,22,17,8,16,12,19,9,3,6,18,11,4,5,2,10,23,7/rA:23nCNCNNCSCCONCCCCCCFCCCCO/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s3;d19;s20;d21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13FN4O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.87964
Area:524.464
Solvation:-4.23195
Coulombic:-43.6214
Bond Count [?]
All:25
Single:17
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:332.354
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.39
LogP (Chemaxon):2.38

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Descriptor Annotations

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