Chemical ID: 7132121

CCOc1cc(ccc1OCc2ccccc2Cl)C=C3C(=O)N(C(=O)S3)c4cccc(c4)O
Chemical ID:
7132121
Name [?]:
5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylene]-3-(3-hydroxyphenyl)-thiazolidine-2,4-dione
SMILES [?]:
CCOc1cc(ccc1OCc2ccccc2Cl)C=C3C(=O)N(C(=O)S3)c4cccc(c4)O
InChi [?]:
InChI=1/C25H20ClNO5S/c1-2-31-22-12-16(10-11-21(22)32-15-17-6-3-4-9-20(17)26)13-23-24(29)27(25(30)33-23)18-7-5-8-19(28)14-18/h3-14,28H,2,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,15,29,13,28,30,16,7,8,5,19,32,11,6,12,27,31,17,9,4,20,21,24,18,23,33,22,25,3,10,26/rA:33nCCOCCCCCCOCCCCCCCClCCCONCOSCCCCCCO/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;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H20ClNO5S
All Atoms:53
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.6512
Area:717.386
Solvation:-6.28347
Coulombic:-60.5011
Bond Count [?]
All:36
Single:24
Double:12
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:481.949
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.05
LogP (Chemaxon):5.6

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Descriptor Annotations

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