Chemical ID: 7277373

Cc1ccccc1n2c(nnc2SCC(=O)N(C)C)c3ccc(cc3)Cl
Chemical ID:
7277373
Name [?]:
2-[[5-(4-chlorophenyl)-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-acetamide
SMILES [?]:
Cc1ccccc1n2c(nnc2SCC(=O)N(C)C)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H19ClN4OS/c1-13-6-4-5-7-16(13)24-18(14-8-10-15(20)11-9-14)21-22-19(24)26-12-17(25)23(2)3/h4-11H,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,19,4,5,3,6,21,25,22,24,14,2,20,23,7,15,9,12,26,10,11,17,8,16,13/E:(2,3)(8,9)(10,11)/rA:26nCCCCCCCNCNNCSCCONCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;s8d11;s12;s13;s14;d15;s15;s17;s17;s9;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19ClN4OS
All Atoms:45
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.2465
Area:595.589
Solvation:-2.64319
Coulombic:-30.6108
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:386.899
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.52
LogP (Chemaxon):3.78

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Descriptor Annotations

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