Chemical ID: 5341565

Cc1cccc(c1)NC(=O)CSc2[nH]c(nn2)Cc3ccccc3
Chemical ID:
5341565
Name [?]:
2-[(5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(m-tolyl)acetamide
SMILES [?]:
Cc1cccc(c1)NC(=O)CSc2[nH]c(nn2)Cc3ccccc3
InChi [?]:
InChI=1/C18H18N4OS/c1-13-6-5-9-15(10-13)19-17(23)12-24-18-20-16(21-22-18)11-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,19,23)(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,21,23,4,3,20,24,5,7,18,11,2,19,6,15,9,13,8,14,16,17,10,12/E:(3,4)(7,8)/rA:24nCCCCCCCNCOCSCNCNNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;s13;s14;d15;d13s16;s15;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18N4OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.9871
Area:569.192
Solvation:-3.24269
Coulombic:-37.4652
Bond Count [?]
All:26
Single:17
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:338.428
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.48
LogP (Chemaxon):3.35

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