Chemical ID: 6473927

Cc1ccc(c(c1)C(=O)CSc2nnc(o2)c3ccccc3)C
Chemical ID:
6473927
Name [?]:
1-(2,5-dimethylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILES [?]:
Cc1ccc(c(c1)C(=O)CSc2nnc(o2)c3ccccc3)C
InChi [?]:
InChI=1/C18H16N2O2S/c1-12-8-9-13(2)15(10-12)16(21)11-23-18-20-19-17(22-18)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,20,19,21,18,22,3,4,7,10,2,5,17,6,8,15,12,14,13,9,16,11/E:(4,5)(6,7)/rA:23nCCCCCCCCOCSCNNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.1506
Area:541.348
Solvation:-2.38313
Coulombic:-25.5513
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:324.398
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.58
LogP (Chemaxon):4.15

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Descriptor Annotations

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