Chemical ID: 5297807

CCN(CC)C(=O)CSc1nnc(n1c2ccc(cc2)C)c3ccco3
Chemical ID:
5297807
Name [?]:
N,N-diethyl-2-[[5-(2-furyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
CCN(CC)C(=O)CSc1nnc(n1c2ccc(cc2)C)c3ccco3
InChi [?]:
InChI=1/C19H22N4O2S/c1-4-22(5-2)17(24)13-26-19-21-20-18(16-7-6-12-25-16)23(19)15-10-8-14(3)9-11-15/h6-12H,4-5,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,21,2,4,24,23,17,19,16,20,25,8,18,15,22,6,13,10,12,11,3,14,7,26,9/E:(1,2)(4,5)(8,9)(10,11)/rA:26nCCNCCCOCSCNNCNCCCCCCCCCCCO/rB:s1;s2;s3;s4;s3;d6;s6;s8;s9;d10;s11;d12;s10s13;s14;s15;d16;s17;d18;d15s19;s18;s13;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22N4O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.5052
Area:595.723
Solvation:-3.3879
Coulombic:-36.562
Bond Count [?]
All:28
Single:20
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:370.47
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.66
LogP (Chemaxon):2.89

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