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Chemical ID: 7317220
Chemical ID:
7317220
Name [?]:
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(isobutylcarbamoyl)acetamide
SMILES [?]:
CC(C)CNC(=O)NC(=O)CSc1nnc(o1)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H17ClN4O3S/c1-9(2)7-17-14(22)18-12(21)8-24-15-20-19-13(23-15)10-3-5-11(16)6-4-10/h3-6,9H,7-8H2,1-2H3,(H2,17,18,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,19,23,20,22,4,11,2,18,21,9,16,6,13,24,5,8,15,14,10,7,17,12/E:(1,2)(3,4)(5,6)/rA:24nCCCCNCONCOCSCNNCOCCCCCCCl/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s9;s11;s12;d13;s14;d15;s13s16;s16;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17ClN4O3S |
All Atoms: | 41 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8468 |
Area: | 608.834 |
Solvation: | -4.37406 |
Coulombic: | -57.2605 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 368.839 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.34 |
LogP (Chemaxon): | 2.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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