Chemical ID: 5401069

Cc1ccccc1n2c(nnn2)SCC(=O)Nc3cc(ccc3OC)Cl
Chemical ID:
5401069
Name [?]:
N-(5-chloro-2-methoxy-phenyl)-2-[1-(o-tolyl)tetrazol-5-yl]sulfanyl-acetamide
SMILES [?]:
Cc1ccccc1n2c(nnn2)SCC(=O)Nc3cc(ccc3OC)Cl
InChi [?]:
InChI=1/C17H16ClN5O2S/c1-11-5-3-4-6-14(11)23-17(20-21-22-23)26-10-16(24)19-13-9-12(18)7-8-15(13)25-2/h3-9H,10H2,1-2H3,(H,19,24)
InChi Info:
AuxInfo=1/1/N:1,25,4,5,3,6,21,22,19,14,2,20,18,7,23,15,9,26,17,10,11,12,8,16,24,13/rA:26nCCCCCCCNCNNNSCCONCCCCCCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;s8d11;s9;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s24;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16ClN5O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.3795
Area:594.093
Solvation:-3.47282
Coulombic:-35.4975
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:389.86
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.57
LogP (Chemaxon):3.98

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