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Chemical ID: 4238717
Chemical ID:
4238717
Name [?]:
2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)N)c2ccncc2
InChi [?]:
InChI=1/C11H13N5OS/c1-2-16-10(8-3-5-13-6-4-8)14-15-11(16)18-7-9(12)17/h3-6H,2,7H2,1H3,(H2,12,17)
InChi Info:
AuxInfo=1/1/N:1,2,14,18,15,17,9,13,10,4,7,12,16,5,6,3,11,8/E:(3,4)(5,6)/rA:18nCCNCNNCSCCONCCCNCC/rB:s1;s2;s3;d4;s5;s3d6;s7;s8;s9;d10;s10;s4;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13N5OS |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.90222 |
Area: | 446.785 |
Solvation: | -3.26741 |
Coulombic: | -40.6867 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 263.32 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.62 |
LogP (Chemaxon): | -0.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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