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Chemical ID: 7311458
Chemical ID:
7311458
Name [?]:
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide
SMILES [?]:
CC(C)(C)NC(=O)NC(=O)CSc1nnc(o1)c2ccccc2
InChi [?]:
InChI=1/C15H18N4O3S/c1-15(2,3)17-13(21)16-11(20)9-23-14-19-18-12(22-14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H2,16,17,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,4,21,20,22,19,23,11,18,9,16,6,13,2,8,5,15,14,10,7,17,12/E:(1,2,3)(5,6)(7,8)/rA:23nCCCCNCONCOCSCNNCOCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;d9;s9;s11;s12;d13;s14;d15;s13s16;s16;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N4O3S |
All Atoms: | 41 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.66674 |
Area: | 554.397 |
Solvation: | -4.19318 |
Coulombic: | -56.9272 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 334.395 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.94 |
LogP (Chemaxon): | 1.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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