Chemical ID: 4879535

Cn1c(nnc1SCC(=O)Nc2ccc(c(c2)F)F)c3ccco3
Chemical ID:
4879535
Name [?]:
N-(3,4-difluorophenyl)-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
Cn1c(nnc1SCC(=O)Nc2ccc(c(c2)F)F)c3ccco3
InChi [?]:
InChI=1/C15H12F2N4O2S/c1-21-14(12-3-2-6-23-12)19-20-15(21)24-8-13(22)18-9-4-5-10(16)11(17)7-9/h2-7H,8H2,1H3,(H,18,22)
InChi Info:
AuxInfo=1/1/N:1,22,21,13,14,23,17,8,12,15,16,20,9,3,6,19,18,11,4,5,2,10,24,7/rA:24nCNCNNCSCCONCCCCCCFFCCCCO/rB:s1;s2;d3;s4;s2d5;s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s15;s3;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12F2N4O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.21257
Area:531.969
Solvation:-5.08666
Coulombic:-46.695
Bond Count [?]
All:26
Single:18
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:350.344
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.55
LogP (Chemaxon):2.52

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Descriptor Annotations

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