Chemical ID: 7325338

Cc1ccc(cc1)c2nnc(o2)SCC(=O)c3cc(c(cc3C)C)C
Chemical ID:
7325338
Name [?]:
2-[[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,4,5-trimethylphenyl)-ethanone
SMILES [?]:
Cc1ccc(cc1)c2nnc(o2)SCC(=O)c3cc(c(cc3C)C)C
InChi [?]:
InChI=1/C20H20N2O2S/c1-12-5-7-16(8-6-12)19-21-22-20(24-19)25-11-18(23)17-10-14(3)13(2)9-15(17)4/h5-10H,11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,25,23,3,7,4,6,21,18,14,2,20,19,22,5,17,15,8,11,9,10,16,12,13/E:(5,6)(7,8)/rA:25nCCCCCCCCNNCOSCCOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s11;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O2S
All Atoms:45
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.2243
Area:584.603
Solvation:-2.39079
Coulombic:-25.058
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:352.451
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.45
LogP (Chemaxon):5.08

Name Annotations

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Descriptor Annotations

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