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Chemical ID: 4676524
Chemical ID:
4676524
Name [?]:
5-[(4-methoxyphenyl)methylene]-3-(p-tolyl)-2-(p-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)N=C2N(C(=O)C(=Cc3ccc(cc3)OC)S2)c4ccc(cc4)C
InChi [?]:
InChI=1/C25H22N2O2S/c1-17-4-10-20(11-5-17)26-25-27(21-12-6-18(2)7-13-21)24(28)23(30-25)16-19-8-14-22(29-3)15-9-19/h4-16H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,30,22,3,7,26,28,16,20,4,6,25,29,17,19,14,2,27,15,5,24,18,13,11,9,8,10,12,21,23/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:30nCCCCCCCNCNCOCCCCCCCCOCSCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s18;s21;s9s13;s10;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H22N2O2S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8753 |
Area: | 576.171 |
Solvation: | -3.52897 |
Coulombic: | -33.2697 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 414.52 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.59 |
LogP (Chemaxon): | 6.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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