Chemical ID: 7142695

CCCCN=C1N(C(=O)C(=Cc2ccc(o2)c3cccc(c3)Cl)S1)CCCC
Chemical ID:
7142695
Name [?]:
3-butyl-2-butylimino-5-[[5-(3-chlorophenyl)-2-furyl]methylene]thiazolidin-4-one
SMILES [?]:
CCCCN=C1N(C(=O)C(=Cc2ccc(o2)c3cccc(c3)Cl)S1)CCCC
InChi [?]:
InChI=1/C22H25ClN2O2S/c1-3-5-12-24-22-25(13-6-4-2)21(26)20(28-22)15-18-10-11-19(27-18)16-8-7-9-17(23)14-16/h7-11,14-15H,3-6,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,2,27,3,26,19,18,20,13,14,4,25,22,11,17,21,12,15,10,8,6,23,5,7,9,16,24/rA:28nCCCCNCNCOCCCCCCOCCCCCCClSCCCC/rB:s1;s2;s3;s4;w5;s6;s7;d8;s8;w10;s11;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s21;s6s10;s7;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25ClN2O2S
All Atoms:53
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:13.0191
Area:648.658
Solvation:-3.19734
Coulombic:-32.7093
Bond Count [?]
All:30
Single:22
Double:8
Rotors:8
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:5.76
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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