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Chemical ID: 5827657
Chemical ID:
5827657
Name [?]:
2-fluoro-N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-benzamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)c2nnc(s2)NC(=O)c3ccccc3F
InChi [?]:
InChI=1/C19H18FN3OS/c1-19(2,3)13-10-8-12(9-11-13)17-22-23-18(25-17)21-16(24)14-6-4-5-7-15(14)20/h4-11H,1-3H3,(H,21,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,4,21,22,20,23,7,9,6,10,8,5,19,24,17,11,14,2,25,16,12,13,18,15/E:(1,2,3)(8,9)(10,11)/rA:25nCCCCCCCCCCCNNCSNCOCCCCCCF/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s12;d13;s11s14;s14;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18FN3OS |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.89181 |
Area: | 564.426 |
Solvation: | -4.21884 |
Coulombic: | -31.1339 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 355.43 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.16 |
LogP (Chemaxon): | 5.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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