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Chemical ID: 4444477
Chemical ID:
4444477
Name [?]:
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-thiazol-2-yl-acetamide
SMILES [?]:
c1ccc(cc1)c2nnc(o2)SCC(=O)Nc3nccs3
InChi [?]:
InChI=1/C13H10N4O2S2/c18-10(15-12-14-6-7-20-12)8-21-13-17-16-11(19-13)9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,19,20,13,4,14,7,17,10,18,16,8,9,15,11,21,12/E:(2,3)(4,5)/rA:21nCCCCCCCNNCOSCCONCNCCS/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;s12;s13;d14;s14;s16;d17;s18;d19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10N4O2S2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.4251 |
Area: | 521.57 |
Solvation: | -3.61414 |
Coulombic: | -40.4315 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 318.376 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.69 |
LogP (Chemaxon): | 2.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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