Chemical ID: 4788733

CCn1c(nnc1SCC(=O)N)c2ccccc2
Chemical ID:
4788733
Name [?]:
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)N)c2ccccc2
InChi [?]:
InChI=1/C12H14N4OS/c1-2-16-11(9-6-4-3-5-7-9)14-15-12(16)18-8-10(13)17/h3-7H,2,8H2,1H3,(H2,13,17)
InChi Info:
AuxInfo=1/1/N:1,2,16,15,17,14,18,9,13,10,4,7,12,5,6,3,11,8/E:(4,5)(6,7)/rA:18nCCNCNNCSCCONCCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s7;s8;s9;d10;s10;s4;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14N4OS
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.66444
Area:449.99
Solvation:-2.58531
Coulombic:-38.2837
Bond Count [?]
All:19
Single:13
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:262.332
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:2.87
LogP (Chemaxon):1.23

Name Annotations

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Descriptor Annotations

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