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Chemical ID: 7140033
Chemical ID:
7140033
Name [?]:
5-[(4-hydroxyphenyl)methylene]-2-(2-methoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
COc1ccccc1N=C2NC(=O)C(=Cc3ccc(cc3)O)S2
InChi [?]:
InChI=1/C17H14N2O3S/c1-22-14-5-3-2-4-13(14)18-17-19-16(21)15(23-17)10-11-6-8-12(20)9-7-11/h2-10,20H,1H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,17,21,18,20,15,16,19,8,3,14,12,10,9,11,22,13,2,23/E:(6,7)(8,9)/rA:23nCOCCCCCCNCNCOCCCCCCCCOS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14N2O3S |
All Atoms: | 37 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.44684 |
Area: | 516.804 |
Solvation: | -4.47326 |
Coulombic: | -52.3294 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 326.371 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.6 |
LogP (Chemaxon): | 3.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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