Chemical ID: 6468862

CCN1C(=O)C(=Cc2ccc(cc2OCC)OCC)SC1=Nc3ccc(cc3)OC
Chemical ID:
6468862
Name [?]:
5-[(2,4-diethoxyphenyl)methylene]-3-ethyl-2-(4-methoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
CCN1C(=O)C(=Cc2ccc(cc2OCC)OCC)SC1=Nc3ccc(cc3)OC
InChi [?]:
InChI=1/C23H26N2O4S/c1-5-25-22(26)21(30-23(25)24-17-9-12-18(27-4)13-10-17)14-16-8-11-19(28-6-2)15-20(16)29-7-3/h8-15H,5-7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,19,16,30,2,18,15,9,24,28,10,25,27,7,12,8,23,26,11,13,6,4,21,22,3,5,29,17,14,20/E:(9,10)(12,13)/rA:30nCCNCOCCCCCCCCOCCOCCSCNCCCCCCOC/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;s13;s14;s15;s11;s17;s18;s6;s3s20;w21;s22;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26N2O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.0703
Area:647.07
Solvation:-5.10646
Coulombic:-46.6707
Bond Count [?]
All:32
Single:23
Double:9
Rotors:8
Chiral:2
Rigid Segments:7
Chemical Properties
Molecular Weight:426.53
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.25
LogP (Chemaxon):4.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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