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Chemical ID: 4296433
Chemical ID:
4296433
Name [?]:
5-[(4-dimethylaminophenyl)methylene]-3-phenyl-thiazolidine-2,4-dione
SMILES [?]:
CN(C)c1ccc(cc1)C=C2C(=O)N(C(=O)S2)c3ccccc3
InChi [?]:
InChI=1/C18H16N2O2S/c1-19(2)14-10-8-13(9-11-14)12-16-17(21)20(18(22)23-16)15-6-4-3-5-7-15/h3-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,21,20,22,19,23,6,8,5,9,10,7,4,18,11,12,15,2,14,13,16,17/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:23nCNCCCCCCCCCCONCOSCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;s14;d15;s11s15;s14;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2O2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.96671 |
Area: | 517.051 |
Solvation: | -2.95956 |
Coulombic: | -35.2302 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 324.398 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.35 |
LogP (Chemaxon): | 4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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