Chemical ID: 5139982

Cc1ccc(cc1)n2c(nnc2SCC(=O)Nc3ccc(cc3)OC)C
Chemical ID:
5139982
Name [?]:
N-(4-methoxyphenyl)-2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
Cc1ccc(cc1)n2c(nnc2SCC(=O)Nc3ccc(cc3)OC)C
InChi [?]:
InChI=1/C19H20N4O2S/c1-13-4-8-16(9-5-13)23-14(2)21-22-19(23)26-12-18(24)20-15-6-10-17(25-3)11-7-15/h4-11H,12H2,1-3H3,(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,26,25,3,7,19,23,4,6,20,22,14,2,9,18,5,21,15,12,17,10,11,8,16,24,13/E:(4,5)(6,7)(8,9)(10,11)/rA:26nCCCCCCCNCNNCSCCONCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;s12;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s24;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N4O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.6726
Area:593.937
Solvation:-4.17578
Coulombic:-38.631
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:368.454
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.73
LogP (Chemaxon):2.91

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Descriptor Annotations

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