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Chemical ID: 6430360
Chemical ID:
6430360
Name [?]:
5-[(3-hydroxy-4-methoxy-phenyl)methylene]-2-(4-methoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
COc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(c(c3)O)OC)S2
InChi [?]:
InChI=1/C18H16N2O4S/c1-23-13-6-4-12(5-7-13)19-18-20-17(22)16(25-18)10-11-3-8-15(24-2)14(21)9-11/h3-10,21H,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,24,17,5,7,4,8,18,21,15,16,6,3,20,19,14,12,10,9,11,22,13,2,23,25/E:(4,5)(6,7)/rA:25nCOCCCCCCNCNCOCCCCCCCCOOCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s20;s19;s23;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2O4S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.21206 |
Area: | 557.768 |
Solvation: | -5.73214 |
Coulombic: | -58.3059 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 356.397 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.52 |
LogP (Chemaxon): | 3.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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