Chemical ID: 3638019

Cc1ccc(cc1)NC(=O)CSc2[nH]nc(n2)c3ccccc3O
Chemical ID:
3638019
Name [?]:
2-[[5-(2-hydroxyphenyl)-2H-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)CSc2[nH]nc(n2)c3ccccc3O
InChi [?]:
InChI=1/C17H16N4O2S/c1-11-6-8-12(9-7-11)18-15(23)10-24-17-19-16(20-21-17)13-4-2-3-5-14(13)22/h2-9,22H,10H2,1H3,(H,18,23)(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,21,19,22,3,7,4,6,11,2,5,18,23,9,16,13,8,17,15,14,24,10,12/E:(6,7)(8,9)/rA:24nCCCCCCCNCOCSCNNCNCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;s14;d15;d13s16;s16;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N4O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.84009
Area:555.009
Solvation:-4.03513
Coulombic:-54.0888
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:340.401
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.46
LogP (Chemaxon):4.11

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