Chemical ID: 7141103

CCCCc1ccc(cc1)N=C2NC(=O)C(=Cc3cc(c(c(c3)OC)OC)OC)S2
Chemical ID:
7141103
Name [?]:
2-(4-butylphenyl)imino-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-4-one
SMILES [?]:
CCCCc1ccc(cc1)N=C2NC(=O)C(=Cc3cc(c(c(c3)OC)OC)OC)S2
InChi [?]:
InChI=1/C23H26N2O4S/c1-5-6-7-15-8-10-17(11-9-15)24-23-25-22(26)20(30-23)14-16-12-18(27-2)21(29-4)19(13-16)28-3/h8-14H,5-7H2,1-4H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,25,29,27,2,3,4,6,10,7,9,23,19,17,5,18,8,22,20,16,21,14,12,11,13,15,24,28,26,30/E:(2,3)(8,9)(10,11)(12,13)(18,19)(27,28)/rA:30nCCCCCCCCCCNCNCOCCCCCCCCOCOCOCS/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s20;s28;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26N2O4S
All Atoms:56
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.66049
Area:643.853
Solvation:-6.43583
Coulombic:-51.0377
Bond Count [?]
All:32
Single:23
Double:9
Rotors:8
Chiral:2
Rigid Segments:8
Chemical Properties
Molecular Weight:426.53
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.47
LogP (Chemaxon):5.25

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue