Chemical ID: 4243346

CCc1[nH]c(nn1)SCC(=O)Nc2ccccc2C
Chemical ID:
4243346
Name [?]:
2-[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(o-tolyl)acetamide
SMILES [?]:
CCc1[nH]c(nn1)SCC(=O)Nc2ccccc2C
InChi [?]:
InChI=1/C13H16N4OS/c1-3-11-15-13(17-16-11)19-8-12(18)14-10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3,(H,14,18)(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,19,2,16,15,17,14,9,18,13,3,10,5,12,4,7,6,11,8/rA:19nCCCNCNNSCCONCCCCCCC/rB:s1;s2;s3;s4;d5;d3s6;s5;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16N4OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.42064
Area:485.458
Solvation:-2.71582
Coulombic:-36.1251
Bond Count [?]
All:20
Single:14
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:276.358
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.99
LogP (Chemaxon):1.49

Name Annotations

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Descriptor Annotations

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