Chemical ID: 5467283

Cc1ccc(cc1)c2nnc(n2c3ccc(cc3)OC)SCC(=O)NC
Chemical ID:
5467283
Name [?]:
2-[[4-(4-methoxyphenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide
SMILES [?]:
Cc1ccc(cc1)c2nnc(n2c3ccc(cc3)OC)SCC(=O)NC
InChi [?]:
InChI=1/C19H20N4O2S/c1-13-4-6-14(7-5-13)18-21-22-19(26-12-17(24)20-2)23(18)15-8-10-16(25-3)11-9-15/h4-11H,12H2,1-3H3,(H,20,24)
InChi Info:
AuxInfo=1/1/N:1,26,20,3,7,4,6,14,18,15,17,22,2,5,13,16,23,8,11,25,9,10,12,24,19,21/E:(4,5)(6,7)(8,9)(10,11)/rA:26nCCCCCCCCNNCNCCCCCCOCSCCONC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;d13s17;s16;s19;s11;s21;s22;d23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N4O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.6528
Area:585.72
Solvation:-3.99016
Coulombic:-41.0624
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:368.454
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.88
LogP (Chemaxon):2.76

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Descriptor Annotations

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