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Chemical ID: 5735799
Chemical ID:
5735799
Name [?]:
N-(2,4-difluorophenyl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide
SMILES [?]:
Cc1ccc(c(c1)C)n2c(nnn2)SCC(=O)Nc3ccc(cc3F)F
InChi [?]:
InChI=1/C17H15F2N5OS/c1-10-3-6-15(11(2)7-10)24-17(21-22-23-24)26-9-16(25)20-14-5-4-12(18)8-13(14)19/h3-8H,9H2,1-2H3,(H,20,25)
InChi Info:
AuxInfo=1/1/N:1,8,3,21,20,4,7,23,15,2,6,22,24,19,5,16,10,26,25,18,11,12,13,9,17,14/rA:26nCCCCCCCCNCNNNSCCONCCCCCCFF/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;s9d12;s10;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H15F2N5OS |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.256 |
Area: | 562.903 |
Solvation: | -3.81655 |
Coulombic: | -34.2198 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 375.397 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.79 |
LogP (Chemaxon): | 3.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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