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Chemical ID: 4849253
Chemical ID:
4849253
Name [?]:
2-(2,4-dimethylphenyl)imino-5-[(4-hydroxy-3-methoxy-phenyl)methylene]thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)C)N=C2NC(=O)C(=Cc3ccc(c(c3)OC)O)S2
InChi [?]:
InChI=1/C19H18N2O3S/c1-11-4-6-14(12(2)8-11)20-19-21-18(23)17(25-19)10-13-5-7-15(22)16(9-13)24-3/h4-10,22H,1-3H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,8,23,3,17,4,18,7,21,15,2,6,16,5,19,20,14,12,10,9,11,24,13,22,25/rA:25nCCCCCCCCNCNCOCCCCCCCCOCOS/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.5394 |
Area: | 560.194 |
Solvation: | -4.46546 |
Coulombic: | -51.997 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 354.424 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.26 |
LogP (Chemaxon): | 4.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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