Chemical ID: 4839014

Cc1ccc(cc1)n2c(nnc2SCC(=O)N)c3ccc(cc3)Cl
Chemical ID:
4839014
Name [?]:
2-[[5-(4-chlorophenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
Cc1ccc(cc1)n2c(nnc2SCC(=O)N)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C17H15ClN4OS/c1-11-2-8-14(9-3-11)22-16(12-4-6-13(18)7-5-12)20-21-17(22)24-10-15(19)23/h2-9H,10H2,1H3,(H2,19,23)
InChi Info:
AuxInfo=1/1/N:1,3,7,19,23,20,22,4,6,14,2,18,21,5,15,9,12,24,17,10,11,8,16,13/E:(2,3)(4,5)(6,7)(8,9)/rA:24nCCCCCCCNCNNCSCCONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;s12;s13;s14;d15;s15;s9;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15ClN4OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.2851
Area:557.466
Solvation:-2.65155
Coulombic:-39.2239
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:358.846
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:5.07
LogP (Chemaxon):3.29

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