Chemical ID: 5589674

c1ccc(cc1)n2cnnc2SCC(=O)NC3CC3
Chemical ID:
5589674
Name [?]:
N-cyclopropyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILES [?]:
c1ccc(cc1)n2cnnc2SCC(=O)NC3CC3
InChi [?]:
InChI=1/C13H14N4OS/c18-12(15-10-6-7-10)8-19-13-16-14-9-17(13)11-4-2-1-3-5-11/h1-5,9-10H,6-8H2,(H,15,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,18,19,13,8,17,4,14,11,9,16,10,7,15,12/E:(2,3)(4,5)(6,7)/rA:19nCCCCCCNCNNCSCCONCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7d10;s11;s12;s13;d14;s14;s16;s17;s17s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14N4OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.15978
Area:477.698
Solvation:-2.78268
Coulombic:-31.8556
Bond Count [?]
All:21
Single:15
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:274.343
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.12
LogP (Chemaxon):0.65

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Descriptor Annotations

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