Chemical ID: 4926456

COc1ccc(cc1)C(CC(=O)c2cccs2)C(=O)c3cccs3
Chemical ID:
4926456
Name [?]:
2-(4-methoxyphenyl)-1,4-bis(2-thienyl)butane-1,4-dione
SMILES [?]:
COc1ccc(cc1)C(CC(=O)c2cccs2)C(=O)c3cccs3
InChi [?]:
InChI=1/C19H16O3S2/c1-22-14-8-6-13(7-9-14)15(19(21)18-5-3-11-24-18)12-16(20)17-4-2-10-23-17/h2-11,15H,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,22,14,21,5,7,4,8,16,23,10,6,3,9,11,13,20,18,12,19,2,17,24/E:(6,7)(8,9)/rA:24cCOCCCCCCCCCOCCCCSCOCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;d13;s14;d15;s13s16;s9;d18;s18;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16O3S2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:9.81068
Area:553.509
Solvation:-4.02704
Coulombic:-25.8679
Bond Count [?]
All:26
Single:17
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:356.461
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.63
LogP (Chemaxon):3.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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