Chemical ID: 5153692

c1cc(oc1)c2[nH]nc(n2)SCC(=O)N
Chemical ID:
5153692
Name [?]:
2-[[5-(2-furyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
c1cc(oc1)c2[nH]nc(n2)SCC(=O)N
InChi [?]:
InChI=1/C8H8N4O2S/c9-6(13)4-15-8-10-7(11-12-8)5-2-1-3-14-5/h1-3H,4H2,(H2,9,13)(H,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,5,12,3,13,6,9,15,10,7,8,14,4,11/rA:15nCCCOCCNNCNSCCON/rB:s1;d2;s3;d1s4;s3;s6;s7;d8;d6s9;s9;s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8N4O2S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.78846
Area:403.41
Solvation:-3.2968
Coulombic:-49.17
Bond Count [?]
All:16
Single:11
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:224.241
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:0.04
LogP (Chemaxon):0.5

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Descriptor Annotations

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