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Chemical ID: 5153692
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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