Chemical ID: 7324749

Cc1ccc(c(c1)C(=O)CSc2nnc(o2)c3ccc(c(c3)C)C)C
Chemical ID:
7324749
Name [?]:
1-(2,5-dimethylphenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILES [?]:
Cc1ccc(c(c1)C(=O)CSc2nnc(o2)c3ccc(c(c3)C)C)C
InChi [?]:
InChI=1/C20H20N2O2S/c1-12-5-6-14(3)17(9-12)18(23)11-25-20-22-21-19(24-20)16-8-7-13(2)15(4)10-16/h5-10H,11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,24,25,23,3,4,19,18,7,22,10,2,20,5,21,17,6,8,15,12,14,13,9,16,11/rA:25nCCCCCCCCOCSCNNCOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s21;s20;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O2S
All Atoms:45
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.2131
Area:583.777
Solvation:-2.38129
Coulombic:-25.0659
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

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Descriptor Annotations

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