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Chemical ID: 7141121
Chemical ID:
7141121
Name [?]:
2-(2,4-dimethoxyphenyl)imino-5-[(4-hydroxy-3-methoxy-phenyl)methylene]thiazolidin-4-one
SMILES [?]:
COc1ccc(c(c1)OC)N=C2NC(=O)C(=Cc3ccc(c(c3)OC)O)S2
InChi [?]:
InChI=1/C19H18N2O5S/c1-24-12-5-6-13(15(10-12)25-2)20-19-21-18(23)17(27-19)9-11-4-7-14(22)16(8-11)26-3/h4-10,22H,1-3H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,10,25,19,4,5,20,23,17,8,18,3,6,21,7,22,16,14,12,11,13,26,15,2,9,24,27/rA:27nCOCCCCCCOCNCNCOCCCCCCCCOCOS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;w11;s12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O5S |
All Atoms: | 45 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.35192 |
Area: | 587.325 |
Solvation: | -7.3312 |
Coulombic: | -64.8774 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 386.423 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.43 |
LogP (Chemaxon): | 3.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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