Chemical ID: 6660807

Cc1ccc(c2c1SC(=C3C(=O)c4c(ccc(c4S3)C)Cl)C2=O)Cl
Chemical ID:
6660807
Name [?]:
4-chloro-2-(4-chloro-7-methyl-3-oxo-benzothiophen-2-ylidene)-7-methyl-benzothiophen-3-one
SMILES [?]:
Cc1ccc(c2c1SC(=C3C(=O)c4c(ccc(c4S3)C)Cl)C2=O)Cl
InChi [?]:
InChI=1/C18H10Cl2O2S2/c1-7-3-5-9(19)11-13(21)17(23-15(7)11)18-14(22)12-10(20)6-4-8(2)16(12)24-18/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,3,16,4,15,2,17,5,14,6,13,22,11,7,18,9,10,24,21,23,12,8,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/rA:24nCCCCCCCSCCCOCCCCCCSCClCOCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s10s18;s17;s14;s6s9;d22;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H10Cl2O2S2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.8441
Area:539.139
Solvation:-2.63433
Coulombic:-18.7565
Bond Count [?]
All:27
Single:18
Double:9
Rotors:0
Chiral:1
Rigid Segments:1
Chemical Properties
Molecular Weight:393.308
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.34
LogP (Chemaxon):5.54

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Descriptor Annotations

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