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Chemical ID: 6453321
Chemical ID:
6453321
Name [?]:
5-[(4-ethylphenyl)methylene]-3-(p-tolyl)-2-(p-tolylimino)thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)C=C2C(=O)N(C(=Nc3ccc(cc3)C)S2)c4ccc(cc4)C
InChi [?]:
InChI=1/C26H24N2OS/c1-4-20-9-11-21(12-10-20)17-24-25(29)28(23-15-7-19(3)8-16-23)26(30-24)27-22-13-5-18(2)6-14-22/h5-17H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,30,2,18,20,26,28,4,8,5,7,17,21,25,29,9,19,27,3,6,16,24,10,11,14,15,13,12,23/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:30nCCCCCCCCCCCONCNCCCCCCCSCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s10s14;s13;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H24N2OS |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4825 |
Area: | 585.951 |
Solvation: | -2.16629 |
Coulombic: | -27.1795 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 412.548 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.57 |
LogP (Chemaxon): | 8.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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