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Chemical ID: 5382455
Chemical ID:
5382455
Name [?]:
N-[4-(4-fluorophenyl)thiazol-2-yl]-2-[[5-(2-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILES [?]:
c1ccnc(c1)c2nnc(o2)SCC(=O)Nc3nc(cs3)c4ccc(cc4)F
InChi [?]:
InChI=1/C18H12FN5O2S2/c19-12-6-4-11(5-7-12)14-9-27-17(21-14)22-15(25)10-28-18-24-23-16(26-18)13-3-1-2-8-20-13/h1-9H,10H2,(H,21,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,23,27,24,26,3,20,13,22,25,5,19,14,7,17,10,28,4,18,16,8,9,15,11,21,12/E:(4,5)(6,7)/rA:28nCCCNCCCNNCOSCCONCNCCSCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s10;s12;s13;d14;s14;s16;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H12FN5O2S2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8559 |
Area: | 629.786 |
Solvation: | -4.88879 |
Coulombic: | -50.0935 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 413.451 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.95 |
LogP (Chemaxon): | 3.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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