Chemical ID: 5404666

c1cc(ccc1n2c(nnn2)SCC(=O)Nc3cc(ccc3Cl)C(F)(F)F)Cl
Chemical ID:
5404666
Name [?]:
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
c1cc(ccc1n2c(nnn2)SCC(=O)Nc3cc(ccc3Cl)C(F)(F)F)Cl
InChi [?]:
InChI=1/C16H10Cl2F3N5OS/c17-10-2-4-11(5-3-10)26-15(23-24-25-26)28-8-14(27)22-13-7-9(16(19,20)21)1-6-12(13)18/h1-7H,8H2,(H,22,27)
InChi Info:
AuxInfo=1/1/N:20,2,4,1,5,21,18,13,19,3,6,22,17,14,8,24,28,23,25,26,27,16,9,10,11,7,15,12/E:(2,3)(4,5)(19,20,21)/rA:28nCCCCCCNCNNNSCCONCCCCCCClCFFFCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;s7d10;s8;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s19;s24;s24;s24;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10Cl2F3N5OS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.2858
Area:620.04
Solvation:-3.21522
Coulombic:-46.5133
Bond Count [?]
All:30
Single:21
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:448.25
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.98
LogP (Chemaxon):4.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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