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Chemical ID: 6464774
Chemical ID:
6464774
Name [?]:
2-(2,5-dimethylphenyl)imino-5-[(3-methoxyphenyl)methylene]-3-methyl-thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)N=C2N(C(=O)C(=Cc3cccc(c3)OC)S2)C)C
InChi [?]:
InChI=1/C20H20N2O2S/c1-13-8-9-14(2)17(10-13)21-20-22(3)19(23)18(25-20)12-15-6-5-7-16(11-15)24-4/h5-12H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,25,24,22,17,16,18,3,4,7,20,14,2,5,15,19,6,13,11,9,8,10,12,21,23/rA:25nCCCCCCCNCNCOCCCCCCCCOCSCC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s9s13;s10;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5804 |
Area: | 546.827 |
Solvation: | -3.09027 |
Coulombic: | -32.8574 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 352.451 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.81 |
LogP (Chemaxon): | 5.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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