Chemical ID: 4109326

CCCCCCN1c2ccccc2C(=C3C(=O)N(C(=S)S3)c4ccccc4)C1=O
Chemical ID:
4109326
Name [?]:
1-hexyl-3-(4-oxo-3-phenyl-2-thioxo-thiazolidin-5-ylidene)-indolin-2-one
SMILES [?]:
CCCCCCN1c2ccccc2C(=C3C(=O)N(C(=S)S3)c4ccccc4)C1=O
InChi [?]:
InChI=1/C23H22N2O2S2/c1-2-3-4-10-15-24-18-14-9-8-13-17(18)19(21(24)26)20-22(27)25(23(28)29-20)16-11-6-5-7-12-16/h5-9,11-14H,2-4,10,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,25,24,26,11,10,5,23,27,12,9,6,22,13,8,14,15,28,16,19,7,18,29,17,20,21/E:(6,7)(11,12)/rA:29nCCCCCCNCCCCCCCCCONCSSCCCCCCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;w14;s15;d16;s16;s18;d19;s15s19;s18;s22;d23;s24;d25;d22s26;s7s14;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H22N2O2S2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:14.0742
Area:646.104
Solvation:-2.07844
Coulombic:-37.8953
Bond Count [?]
All:32
Single:22
Double:10
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:422.565
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.89
LogP (Chemaxon):5.14

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