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Chemical ID: 6468814
Chemical ID:
6468814
Name [?]:
5-[(4-methoxy-3-methyl-phenyl)methylene]-2-(4-methoxyphenyl)imino-3-methyl-thiazolidin-4-one
SMILES [?]:
Cc1cc(ccc1OC)C=C2C(=O)N(C(=Nc3ccc(cc3)OC)S2)C
InChi [?]:
InChI=1/C20H20N2O3S/c1-13-11-14(5-10-17(13)25-4)12-18-19(23)22(2)20(26-18)21-15-6-8-16(24-3)9-7-15/h5-12H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,26,24,9,5,18,22,19,21,6,3,10,2,4,17,20,7,11,12,15,16,14,13,23,8,25/E:(6,7)(8,9)/rA:26nCCCCCCCOCCCCONCNCCCCCCOCSC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;w10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s20;s23;s11s15;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.65158 |
Area: | 564.828 |
Solvation: | -4.46913 |
Coulombic: | -38.9416 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 368.45 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.29 |
LogP (Chemaxon): | 4.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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