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Chemical ID: 6453959
Chemical ID:
6453959
Name [?]:
5-[(2-ethoxyphenyl)methylene]-3-phenyl-2-phenylimino-thiazolidin-4-one
SMILES [?]:
CCOc1ccccc1C=C2C(=O)N(C(=Nc3ccccc3)S2)c4ccccc4
InChi [?]:
InChI=1/C24H20N2O2S/c1-2-28-21-16-10-9-11-18(21)17-22-23(27)26(20-14-7-4-8-15-20)24(29-22)25-19-12-5-3-6-13-19/h3-17H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,20,27,19,21,26,28,7,6,8,18,22,25,29,5,10,9,17,24,4,11,12,15,16,14,13,3,23/E:(5,6)(7,8)(12,13)(14,15)/rA:29nCCOCCCCCCCCCONCNCCCCCCSCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s11s15;s14;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20N2O2S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0939 |
Area: | 567.552 |
Solvation: | -3.09493 |
Coulombic: | -34.6658 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 400.494 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.14 |
LogP (Chemaxon): | 6.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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