Chemical ID: 5483353

Cc1cc(c(cc1C)C(=O)CSc2nn(c(=S)s2)c3ccccc3)C
Chemical ID:
5483353
Name [?]:
2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(2,4,5-trimethylphenyl)-ethanone
SMILES [?]:
Cc1cc(c(cc1C)C(=O)CSc2nn(c(=S)s2)c3ccccc3)C
InChi [?]:
InChI=1/C19H18N2OS3/c1-12-9-14(3)16(10-13(12)2)17(22)11-24-18-20-21(19(23)25-18)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,25,22,21,23,20,24,3,6,11,2,7,4,19,5,9,13,16,14,15,10,17,12,18/E:(5,6)(7,8)/rA:25nCCCCCCCCCOCSCNNCSSCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;s11;s12;d13;s14;s15;d16;s13s16;s15;s19;d20;s21;d22;d19s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2OS3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.3472
Area:596.91
Solvation:-2.57557
Coulombic:-17.5208
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:386.557
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.17
LogP (Chemaxon):6.29

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Descriptor Annotations

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