Chemical ID: 6170886

CCCN1C(=O)C(=Cc2ccccc2OCC)SC1=Nc3ccc(cc3)OCC
Chemical ID:
6170886
Name [?]:
2-(4-ethoxyphenyl)imino-5-[(2-ethoxyphenyl)methylene]-3-propyl-thiazolidin-4-one
SMILES [?]:
CCCN1C(=O)C(=Cc2ccccc2OCC)SC1=Nc3ccc(cc3)OCC
InChi [?]:
InChI=1/C23H26N2O3S/c1-4-15-25-22(26)21(16-17-9-7-8-10-20(17)28-6-3)29-23(25)24-18-11-13-19(14-12-18)27-5-2/h7-14,16H,4-6,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,17,2,28,16,11,12,10,13,22,26,23,25,3,8,9,21,24,14,7,5,19,20,4,6,27,15,18/E:(11,12)(13,14)/rA:29nCCCNCOCCCCCCCCOCCSCNCCCCCCOCC/rB:s1;s2;s3;s4;d5;s5;w7;s8;s9;d10;s11;d12;d9s13;s14;s15;s16;s7;s4s18;w19;s20;s21;d22;s23;d24;d21s25;s24;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26N2O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.5667
Area:625.623
Solvation:-4.07387
Coulombic:-40.6752
Bond Count [?]
All:31
Single:22
Double:9
Rotors:8
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:410.53
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.69
LogP (Chemaxon):5.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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