Chemical ID: 7139986

Cc1ccc(c(c1)N=C2NC(=O)C(=Cc3ccccc3)S2)C
Chemical ID:
7139986
Name [?]:
5-benzylidene-2-(2,5-dimethylphenyl)imino-thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)N=C2NC(=O)C(=Cc3ccccc3)S2)C
InChi [?]:
InChI=1/C18H16N2OS/c1-12-8-9-13(2)15(10-12)19-18-20-17(21)16(22-18)11-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,22,18,17,19,16,20,3,4,7,14,2,5,15,6,13,11,9,8,10,12,21/E:(4,5)(6,7)/rA:22nCCCCCCCNCNCOCCCCCCCCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s9s13;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2OS
All Atoms:38
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.6905
Area:498.982
Solvation:-1.78403
Coulombic:-30.6504
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:308.399
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.75
LogP (Chemaxon):5.29

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