Chemical ID: 7311458

CC(C)(C)NC(=O)NC(=O)CSc1nnc(o1)c2ccccc2
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

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