Chemical ID: 6769485

Cc1ccc(cc1)c2nc(sn2)SCC(=O)Nc3ccc(cc3)C(F)(F)F
Chemical ID:
6769485
Name [?]:
2-[[3-(p-tolyl)-1,2,4-thiadiazol-5-yl]sulfanyl]-N-[4-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
Cc1ccc(cc1)c2nc(sn2)SCC(=O)Nc3ccc(cc3)C(F)(F)F
InChi [?]:
InChI=1/C18H14F3N3OS2/c1-11-2-4-12(5-3-11)16-23-17(27-24-16)26-10-15(25)22-14-8-6-13(7-9-14)18(19,20)21/h2-9H,10H2,1H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,20,22,19,23,14,2,5,21,18,15,8,10,24,25,26,27,17,9,12,16,13,11/E:(2,3)(4,5)(6,7)(8,9)(19,20,21)/rA:27nCCCCCCCCNCSNSCCONCCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14F3N3OS2
All Atoms:41
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.4771
Area:602.824
Solvation:-3.59351
Coulombic:-50.5811
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:409.451
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.61
LogP (Chemaxon):5.57

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Descriptor Annotations

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