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Chemical ID: 6455704
Chemical ID:
6455704
Name [?]:
5-[(4-diethylaminophenyl)methylene]-3-(p-tolyl)-2-(p-tolylimino)thiazolidin-4-one
SMILES [?]:
CCN(CC)c1ccc(cc1)C=C2C(=O)N(C(=Nc3ccc(cc3)C)S2)c4ccc(cc4)C
InChi [?]:
InChI=1/C28H29N3OS/c1-5-30(6-2)24-17-11-22(12-18-24)19-26-27(32)31(25-15-9-21(4)10-16-25)28(33-26)29-23-13-7-20(3)8-14-23/h7-19H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,25,33,2,4,21,23,29,31,8,10,20,24,28,32,7,11,12,22,30,9,19,6,27,13,14,17,18,3,16,15,26/E:(1,2)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:33nCCNCCCCCCCCCCCONCNCCCCCCCSCCCCCCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;w12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s22;s13s17;s16;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H29N3OS |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.5491 |
Area: | 646.042 |
Solvation: | -2.60192 |
Coulombic: | -32.6324 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 2 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 455.615 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.73 |
LogP (Chemaxon): | 8.16 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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