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Chemical ID: 6294103
Chemical ID:
6294103
Name [?]:
N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-2-(1H-1,2,4-triazol-3-ylsulfanyl)acetamide
SMILES [?]:
COCc1nnc(o1)NC(=O)CSc2nc[nH]n2
InChi [?]:
InChI=1/C8H10N6O3S/c1-16-2-6-12-13-7(17-6)11-5(15)3-18-8-9-4-10-14-8/h4H,2-3H2,1H3,(H,9,10,14)(H,11,13,15)
InChi Info:
AuxInfo=1/1/N:1,3,12,16,10,4,7,14,15,17,9,5,6,18,11,2,8,13/rA:18nCOCCNNCONCOCSCNCNN/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s9;d10;s10;s12;s13;s14;d15;s16;d14s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H10N6O3S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.98559 |
Area: | 464.107 |
Solvation: | -5.61709 |
Coulombic: | -56.4894 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 270.27 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.6 |
LogP (Chemaxon): | -0.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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