Chemical ID: 5164198

CCn1c(nnc1SCC(=O)N(CC)CC)c2ccco2
Chemical ID:
5164198
Name [?]:
N,N-diethyl-2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)N(CC)CC)c2ccco2
InChi [?]:
InChI=1/C14H20N4O2S/c1-4-17(5-2)12(19)10-21-14-16-15-13(18(14)6-3)11-8-7-9-20-11/h7-9H,4-6,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:14,16,1,13,15,2,19,18,20,9,17,10,4,7,5,6,12,3,11,21,8/E:(1,2)(4,5)/rA:21nCCNCNNCSCCONCCCCCCCCO/rB:s1;s2;s3;d4;s5;s3d6;s7;s8;s9;d10;s10;s12;s13;s12;s15;s4;d17;s18;d19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20N4O2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.0031
Area:521.886
Solvation:-3.04408
Coulombic:-36.1216
Bond Count [?]
All:22
Single:17
Double:5
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:308.4
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.08
LogP (Chemaxon):1.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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