Chemical ID: 4485681

Cc1ccc(cc1)NC(=O)Cc2nnc(n2C)SCc3ccc(cc3)F
Chemical ID:
4485681
Name [?]:
2-[5-[(4-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-N-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)Cc2nnc(n2C)SCc3ccc(cc3)F
InChi [?]:
InChI=1/C19H19FN4OS/c1-13-3-9-16(10-4-13)21-18(25)11-17-22-23-19(24(17)2)26-12-14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,17,3,7,21,25,22,24,4,6,11,19,2,20,23,5,12,9,15,26,8,13,14,16,10,18/E:(3,4)(5,6)(7,8)(9,10)/rA:26nCCCCCCCNCOCCNNCNCSCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;s12s15;s16;s15;s18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19FN4OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.4713
Area:593.925
Solvation:-4.37683
Coulombic:-35.6846
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:370.445
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.94
LogP (Chemaxon):4.2

Name Annotations

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Descriptor Annotations

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