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Chemical ID: 6121736
Chemical ID:
6121736
Name [?]:
N-(2,4-dimethylphenyl)-2-[2-(3,4-dimethylphenyl)imino-3-methyl-4-oxo-thiazolidin-5-yl]-acetamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)CC2C(=O)N(C(=Nc3ccc(c(c3)C)C)S2)C
InChi [?]:
InChI=1/C22H25N3O2S/c1-13-6-9-18(16(4)10-13)24-20(26)12-19-21(27)25(5)22(28-19)23-17-8-7-14(2)15(3)11-17/h6-11,19H,12H2,1-5H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,26,25,8,28,3,21,20,4,7,24,12,2,22,23,6,19,5,13,10,14,17,18,9,16,11,15,27/rA:28cCCCCCCCCNCOCCCONCNCCCCCCCCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s23;s22;s13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H25N3O2S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.1432 |
Area: | 615.862 |
Solvation: | -3.25331 |
Coulombic: | -42.4419 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 395.519 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.4 |
LogP (Chemaxon): | 5.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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