Chemical ID: 5735799

Cc1ccc(c(c1)C)n2c(nnn2)SCC(=O)Nc3ccc(cc3F)F
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

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Descriptor Annotations

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