Chemical ID: 6467858

CCCN1C(=O)C(=Cc2ccc(cc2)O)SC1=Nc3ccc(cc3)OCC
Chemical ID:
6467858
Name [?]:
2-(4-ethoxyphenyl)imino-5-[(4-hydroxyphenyl)methylene]-3-propyl-thiazolidin-4-one
SMILES [?]:
CCCN1C(=O)C(=Cc2ccc(cc2)O)SC1=Nc3ccc(cc3)OCC
InChi [?]:
InChI=1/C21H22N2O3S/c1-3-13-23-20(25)19(14-15-5-9-17(24)10-6-15)27-21(23)22-16-7-11-18(12-8-16)26-4-2/h5-12,14,24H,3-4,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,2,26,10,14,20,24,11,13,21,23,3,8,9,19,12,22,7,5,17,18,4,15,6,25,16/E:(5,6)(7,8)(9,10)(11,12)/rA:27nCCCNCOCCCCCCCCOSCNCCCCCCOCC/rB:s1;s2;s3;s4;d5;s5;w7;s8;s9;d10;s11;d12;d9s13;s12;s7;s4s16;w17;s18;s19;d20;s21;d22;d19s23;s22;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.4589
Area:579.965
Solvation:-4.04021
Coulombic:-48.6205
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:382.477
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.95
LogP (Chemaxon):5.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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