Chemical ID: 5841788

CCOc1cc(ccc1OCc2ccccc2Cl)C=C3C(=O)N(C(=S)S3)c4ccccc4
Chemical ID:
5841788
Name [?]:
5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylene]-3-phenyl-2-thioxo-thiazolidin-4-one
SMILES [?]:
CCOc1cc(ccc1OCc2ccccc2Cl)C=C3C(=O)N(C(=S)S3)c4ccccc4
InChi [?]:
InChI=1/C25H20ClNO3S2/c1-2-29-22-14-17(12-13-21(22)30-16-18-8-6-7-11-20(18)26)15-23-24(28)27(25(31)32-23)19-9-4-3-5-10-19/h3-15H,2,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,30,29,31,14,15,13,28,32,16,7,8,5,19,11,6,12,27,17,9,4,20,21,24,18,23,22,3,10,25,26/E:(4,5)(9,10)/rA:32nCCOCCCCCCOCCCCCCCClCCCONCSSCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s6;w19;s20;d21;s21;s23;d24;s20s24;s23;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H20ClNO3S2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:13.0642
Area:708.939
Solvation:-4.65933
Coulombic:-36.8493
Bond Count [?]
All:35
Single:23
Double:12
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:482.016
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.71
LogP (Chemaxon):6.62

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Descriptor Annotations

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