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Chemical ID: 7084061
Chemical ID:
7084061
Name [?]:
4-(3,4-dimethylphenyl)imino-5-[(5-phenyl-2-furyl)methylene]thiazolidin-2-one
SMILES [?]:
Cc1ccc(cc1C)N=C2C(=Cc3ccc(o3)c4ccccc4)SC(=O)N2
InChi [?]:
InChI=1/C22H18N2O2S/c1-14-8-9-17(12-15(14)2)23-21-20(27-22(25)24-21)13-18-10-11-19(26-18)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,8,21,20,22,19,23,3,4,14,15,6,12,2,7,18,5,13,16,11,10,25,9,27,26,17,24/E:(4,5)(6,7)/rA:27nCCCCCCCCNCCCCCCCOCCCCCCSCON/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;w9;s10;w11;s12;d13;s14;d15;s13s16;s16;s18;d19;s20;d21;d18s22;s11;s24;d25;s10s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18N2O2S |
All Atoms: | 45 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8082 |
Area: | 549.97 |
Solvation: | -2.94103 |
Coulombic: | -36.387 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 374.457 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.62 |
LogP (Chemaxon): | 5.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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