Chemical ID: 7142724

CCCCN=C1N(C(=O)C(=Cc2ccc(c(c2)OCC)O)S1)CCCC
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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