Chemical ID: 7296594

Cc1ccc(cc1)n2c(nnc2SC(C)C(=O)N)c3cccc(c3)OC
Chemical ID:
7296594
Name [?]:
2-[[5-(3-methoxyphenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
SMILES [?]:
Cc1ccc(cc1)n2c(nnc2SC(C)C(=O)N)c3cccc(c3)OC
InChi [?]:
InChI=1/C19H20N4O2S/c1-12-7-9-15(10-8-12)23-18(14-5-4-6-16(11-14)25-3)21-22-19(23)26-13(2)17(20)24/h4-11,13H,1-3H3,(H2,20,24)
InChi Info:
AuxInfo=1/1/N:1,15,26,21,20,22,3,7,4,6,24,2,14,19,5,23,16,9,12,18,10,11,8,17,25,13/E:(7,8)(9,10)/rA:26cCCCCCCCNCNNCSCCCONCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;s12;s13;s14;s14;d16;s16;s9;s19;d20;s21;d22;d19s23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N4O2S
All Atoms:46
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.5175
Area:573.564
Solvation:-3.82163
Coulombic:-46.1648
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:368.454
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.66
LogP (Chemaxon):3.05

Name Annotations

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Descriptor Annotations

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