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Chemical ID: 7142724
Chemical ID:
7142724
Name [?]:
3-butyl-2-butylimino-5-[(3-ethoxy-4-hydroxy-phenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCCCN=C1N(C(=O)C(=Cc2ccc(c(c2)OCC)O)S1)CCCC
InChi [?]:
InChI=1/C20H28N2O3S/c1-4-7-11-21-20-22(12-8-5-2)19(24)18(26-20)14-15-9-10-16(23)17(13-15)25-6-3/h9-10,13-14,23H,4-8,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,20,2,25,19,3,24,13,14,4,23,17,11,12,15,16,10,8,6,5,7,21,9,18,22/rA:26nCCCCNCNCOCCCCCCCCOCCOSCCCC/rB:s1;s2;s3;s4;w5;s6;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s16;s18;s19;s15;s6s10;s7;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H28N2O3S |
All Atoms: | 54 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.7629 |
Area: | 639.206 |
Solvation: | -4.21729 |
Coulombic: | -49.1851 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.42 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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