Chemical ID: 7294574

C=CCn1c(nnc1SCC(=O)NCC(F)(F)F)c2ccccc2
Chemical ID:
7294574
Name [?]:
2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
SMILES [?]:
C=CCn1c(nnc1SCC(=O)NCC(F)(F)F)c2ccccc2
InChi [?]:
InChI=1/C15H15F3N4OS/c1-2-8-22-13(11-6-4-3-5-7-11)20-21-14(22)24-9-12(23)19-10-15(16,17)18/h2-7H,1,8-10H2,(H,19,23)
InChi Info:
AuxInfo=1/1/N:1,2,22,21,23,20,24,3,10,14,19,11,5,8,15,16,17,18,13,6,7,4,12,9/E:(4,5)(6,7)(16,17,18)/rA:24nCCCNCNNCSCCONCCFFFCCCCCC/rB:d1;s2;s3;s4;d5;s6;s4d7;s8;s9;s10;d11;s11;s13;s14;s15;s15;s15;s5;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15F3N4OS
All Atoms:39
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.90646
Area:539.288
Solvation:-3.57575
Coulombic:-53.1155
Bond Count [?]
All:25
Single:18
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:356.367
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.0
LogP (Chemaxon):2.85

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