Chemical ID: 6454144

Cc1ccc(cc1C)N=C2N(C(=O)C(=Cc3ccc(o3)c4ccc(cc4)F)S2)c5ccc(c(c5)C)C
Chemical ID:
6454144
Name [?]:
3-(3,4-dimethylphenyl)-2-(3,4-dimethylphenyl)imino-5-[[5-(4-fluorophenyl)-2-furyl]methylene]thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1C)N=C2N(C(=O)C(=Cc3ccc(o3)c4ccc(cc4)F)S2)c5ccc(c(c5)C)C
InChi [?]:
InChI=1/C30H25FN2O2S/c1-18-5-11-24(15-20(18)3)32-30-33(25-12-6-19(2)21(4)16-25)29(34)28(36-30)17-26-13-14-27(35-26)22-7-9-23(31)10-8-22/h5-17H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,36,8,35,3,31,22,26,23,25,4,30,17,18,6,34,15,2,32,7,33,21,24,5,29,16,19,14,12,10,27,9,11,13,20,28/E:(7,8)(9,10)/rA:36nCCCCCCCCNCNCOCCCCCCOCCCCCCFSCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;w9;s10;s11;d12;s12;w14;s15;d16;s17;d18;s16s19;s19;s21;d22;s23;d24;d21s25;s24;s10s14;s11;s29;d30;s31;d32;d29s33;s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H25FN2O2S
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:12.1542
Area:658.47
Solvation:-4.30757
Coulombic:-35.1941
Bond Count [?]
All:40
Single:26
Double:14
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:496.596
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:7.36
LogP (Chemaxon):8.69

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