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Chemical ID: 6455871
Chemical ID:
6455871
Name [?]:
3-(4-ethylphenyl)-2-(4-ethylphenyl)imino-5-[(4-hydroxy-3,5-dimethoxy-phenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)N=C2N(C(=O)C(=Cc3cc(c(c(c3)OC)O)OC)S2)c4ccc(cc4)CC
InChi [?]:
InChI=1/C28H28N2O4S/c1-5-18-7-11-21(12-8-18)29-28-30(22-13-9-19(6-2)10-14-22)27(32)25(35-28)17-20-15-23(33-3)26(31)24(16-20)34-4/h7-17,31H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,35,23,26,2,34,4,8,30,32,5,7,29,33,21,17,15,3,31,16,6,28,20,18,14,19,12,10,9,11,24,13,22,25,27/E:(3,4)(7,8)(9,10)(11,12)(13,14)(15,16)(23,24)(33,34)/rA:35nCCCCCCCCNCNCOCCCCCCCCOCOOCSCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s18;s25;s10s14;s11;s28;d29;s30;d31;d28s32;s31;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H28N2O4S |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4944 |
Area: | 664.208 |
Solvation: | -6.1108 |
Coulombic: | -56.3158 |
Bond Count [?]
All: | 38 |
Single: | 26 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 2 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 488.599 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 6.03 |
LogP (Chemaxon): | 7.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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