Chemical ID: 5365484

Cc1ccccc1n2c(nnn2)SCC(=O)Nc3cccc(c3C)C
Chemical ID:
5365484
Name [?]:
N-(2,3-dimethylphenyl)-2-[1-(o-tolyl)tetrazol-5-yl]sulfanyl-acetamide
SMILES [?]:
Cc1ccccc1n2c(nnn2)SCC(=O)Nc3cccc(c3C)C
InChi [?]:
InChI=1/C18H19N5OS/c1-12-8-6-9-15(14(12)3)19-17(24)11-25-18-20-21-22-23(18)16-10-5-4-7-13(16)2/h4-10H,11H2,1-3H3,(H,19,24)
InChi Info:
AuxInfo=1/1/N:25,1,24,4,5,20,3,21,19,6,14,22,2,23,18,7,15,9,17,10,11,12,8,16,13/rA:25nCCCCCCCNCNNNSCCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;s8d11;s9;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19N5OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.5175
Area:563.003
Solvation:-2.55755
Coulombic:-27.923
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:353.443
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.7
LogP (Chemaxon):4.0

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