Chemical ID: 7322090

CCC(C)NC(=O)CSc1nnc(n1CC)c2ccco2
Chemical ID:
7322090
Name [?]:
2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-sec-butyl-acetamide
SMILES [?]:
CCC(C)NC(=O)CSc1nnc(n1CC)c2ccco2
InChi [?]:
InChI=1/C14H20N4O2S/c1-4-10(3)15-12(19)9-21-14-17-16-13(18(14)5-2)11-7-6-8-20-11/h6-8,10H,4-5,9H2,1-3H3,(H,15,19)
InChi Info:
AuxInfo=1/1/N:1,16,4,2,15,19,18,20,8,3,17,6,13,10,5,12,11,14,7,21,9/rA:21cCCCCNCOCSCNNCNCCCCCCO/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;d10;s11;d12;s10s13;s14;s15;s13;d17;s18;d19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20N4O2S
All Atoms:41
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:10.2208
Area:528.935
Solvation:-3.00255
Coulombic:-40.9731
Bond Count [?]
All:22
Single:17
Double:5
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:308.4
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.33
LogP (Chemaxon):1.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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