Chemical ID: 5410371

Cc1ccc(cc1)n2c(nnn2)SCC(=O)Nc3ccc(cc3C)F
Chemical ID:
5410371
Name [?]:
N-(4-fluoro-2-methyl-phenyl)-2-[1-(p-tolyl)tetrazol-5-yl]sulfanyl-acetamide
SMILES [?]:
Cc1ccc(cc1)n2c(nnn2)SCC(=O)Nc3ccc(cc3C)F
InChi [?]:
InChI=1/C17H16FN5OS/c1-11-3-6-14(7-4-11)23-17(20-21-22-23)25-10-16(24)19-15-8-5-13(18)9-12(15)2/h3-9H,10H2,1-2H3,(H,19,24)
InChi Info:
AuxInfo=1/1/N:1,24,3,7,20,4,6,19,22,14,2,23,21,5,18,15,9,25,17,10,11,12,8,16,13/E:(3,4)(6,7)/rA:25nCCCCCCCNCNNNSCCONCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;s9;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16FN5OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.6872
Area:560.566
Solvation:-3.32697
Coulombic:-30.8339
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:357.406
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.63
LogP (Chemaxon):3.68

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Descriptor Annotations

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