Chemical ID: 6468622

CCCN1C(=O)C(=Cc2ccc(c(c2)OCC)OC)SC1=Nc3ccccc3
Chemical ID:
6468622
Name [?]:
5-[(3-ethoxy-4-methoxy-phenyl)methylene]-2-phenylimino-3-propyl-thiazolidin-4-one
SMILES [?]:
CCCN1C(=O)C(=Cc2ccc(c(c2)OCC)OC)SC1=Nc3ccccc3
InChi [?]:
InChI=1/C22H24N2O3S/c1-4-13-24-21(25)20(28-22(24)23-17-9-7-6-8-10-17)15-16-11-12-18(26-3)19(14-16)27-5-2/h6-12,14-15H,4-5,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,19,2,16,26,25,27,24,28,10,11,3,14,8,9,23,12,13,7,5,21,22,4,6,18,15,20/E:(7,8)(9,10)/rA:28nCCCNCOCCCCCCCCOCCOCSCNCCCCCC/rB:s1;s2;s3;s4;d5;s5;w7;s8;s9;d10;s11;d12;d9s13;s13;s15;s16;s12;s18;s7;s4s20;w21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24N2O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.89912
Area:601.28
Solvation:-5.13289
Coulombic:-40.1817
Bond Count [?]
All:30
Single:21
Double:9
Rotors:7
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:396.504
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.0
LogP (Chemaxon):5.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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