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Chemical ID: 4105589
Chemical ID:
4105589
Name [?]:
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-phenylthiazol-2-yl)-acetamide
SMILES [?]:
c1ccc(cc1)c2csc(n2)NC(=O)CSc3nnc(o3)c4ccccc4Cl
InChi [?]:
InChI=1/C19H13ClN4O2S2/c20-14-9-5-4-8-13(14)17-23-24-19(26-17)28-11-16(25)22-18-21-15(10-27-18)12-6-2-1-3-7-12/h1-10H,11H2,(H,21,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,24,25,3,5,23,26,8,15,4,22,27,7,13,20,10,17,28,11,12,19,18,14,21,9,16/E:(2,3)(6,7)/rA:28nCCCCCCCCSCNNCOCSCNNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;d13;s13;s15;s16;d17;s18;d19;s17s20;s20;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H13ClN4O2S2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.7898 |
Area: | 646.845 |
Solvation: | -3.38135 |
Coulombic: | -43.2619 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 428.917 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.57 |
LogP (Chemaxon): | 5.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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