Chemical ID: 7142723

CCCCN=C1N(C(=O)C(=Cc2ccc(c(c2)OC)O)S1)CCCC
Chemical ID:
7142723
Name [?]:
3-butyl-2-butylimino-5-[(4-hydroxy-3-methoxy-phenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCCCN=C1N(C(=O)C(=Cc2ccc(c(c2)OC)O)S1)CCCC
InChi [?]:
InChI=1/C19H26N2O3S/c1-4-6-10-20-19-21(11-7-5-2)18(23)17(25-19)13-14-8-9-15(22)16(12-14)24-3/h8-9,12-13,22H,4-7,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,19,2,24,3,23,13,14,4,22,17,11,12,15,16,10,8,6,5,7,20,9,18,21/rA:25nCCCCNCNCOCCCCCCCCOCOSCCCC/rB:s1;s2;s3;s4;w5;s6;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s16;s18;s15;s6s10;s7;s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H26N2O3S
All Atoms:51
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:10.9785
Area:612.0
Solvation:-4.32152
Coulombic:-48.918
Bond Count [?]
All:26
Single:20
Double:6
Rotors:8
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.99
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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