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Chemical ID: 6454144
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
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Experimental Annotations
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Descriptor Annotations
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