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Chemical ID: 7141120
Chemical ID:
7141120
Name [?]:
2-(2,5-dimethylphenyl)imino-5-[(4-hydroxy-3-methoxy-phenyl)methylene]thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)N=C2NC(=O)C(=Cc3ccc(c(c3)OC)O)S2)C
InChi [?]:
InChI=1/C19H18N2O3S/c1-11-4-5-12(2)14(8-11)20-19-21-18(23)17(25-19)10-13-6-7-15(22)16(9-13)24-3/h4-10,22H,1-3H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,25,22,3,4,16,17,7,20,14,2,5,15,6,18,19,13,11,9,8,10,23,12,21,24/rA:25nCCCCCCCNCNCOCCCCCCCCOCOSC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s9s13;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O3S |
All Atoms: | 43 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.34011 |
Area: | 552.368 |
Solvation: | -4.4691 |
Coulombic: | -52.1094 |
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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