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Chemical ID: 6467738
Chemical ID:
6467738
Name [?]:
2-(4-ethoxyphenyl)imino-3-ethyl-5-[(4-methoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCN1C(=O)C(=Cc2ccc(cc2)OC)SC1=Nc3ccc(cc3)OCC
InChi [?]:
InChI=1/C21H22N2O3S/c1-4-23-20(24)19(14-15-6-10-17(25-3)11-7-15)27-21(23)22-16-8-12-18(13-9-16)26-5-2/h6-14H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,15,2,26,9,13,20,24,10,12,21,23,7,8,19,11,22,6,4,17,18,3,5,14,25,16/E:(6,7)(8,9)(10,11)(12,13)/rA:27nCCNCOCCCCCCCCOCSCNCCCCCCOCC/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;s11;s14;s6;s3s16;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: | 10.1143 |
Area: | 584.825 |
Solvation: | -4.50637 |
Coulombic: | -39.4068 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 2 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 382.477 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.91 |
LogP (Chemaxon): | 4.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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