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Chemical ID: 7314723
Chemical ID:
7314723
Name [?]:
2-(4-acetylphenoxy)-N-[2-[2,4-dioxo-5-(p-tolylmethylene)thiazolidin-3-yl]ethyl]acetamide
SMILES [?]:
Cc1ccc(cc1)C=C2C(=O)N(C(=O)S2)CCNC(=O)COc3ccc(cc3)C(=O)C
InChi [?]:
InChI=1/C23H22N2O5S/c1-15-3-5-17(6-4-15)13-20-22(28)25(23(29)31-20)12-11-24-21(27)14-30-19-9-7-18(8-10-19)16(2)26/h3-10,13H,11-12,14H2,1-2H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,31,3,7,4,6,25,27,24,28,17,16,8,21,2,29,5,26,23,9,19,10,13,18,12,30,20,11,14,22,15/E:(3,4)(5,6)(7,8)(9,10)/rA:31nCCCCCCCCCCONCOSCCNCOCOCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;d13;s9s13;s12;s16;s17;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s26;d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H22N2O5S |
All Atoms: | 53 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9578 |
Area: | 699.085 |
Solvation: | -6.51935 |
Coulombic: | -64.0147 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 438.497 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.75 |
LogP (Chemaxon): | 2.39 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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