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Chemical ID: 5403042
Chemical ID:
5403042
Name [?]:
N-(4-fluorophenyl)-2-[1-(p-tolyl)tetrazol-5-yl]sulfanyl-acetamide
SMILES [?]:
Cc1ccc(cc1)n2c(nnn2)SCC(=O)Nc3ccc(cc3)F
InChi [?]:
InChI=1/C16H14FN5OS/c1-11-2-8-14(9-3-11)22-16(19-20-21-22)24-10-15(23)18-13-6-4-12(17)5-7-13/h2-9H,10H2,1H3,(H,18,23)
InChi Info:
AuxInfo=1/1/N:1,3,7,20,22,19,23,4,6,14,2,21,18,5,15,9,24,17,10,11,12,8,16,13/E:(2,3)(4,5)(6,7)(8,9)/rA:24nCCCCCCCNCNNNSCCONCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;s9;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14FN5OS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0974 |
Area: | 541.009 |
Solvation: | -3.42783 |
Coulombic: | -30.8076 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 343.38 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.4 |
LogP (Chemaxon): | 3.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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