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Chemical ID: 6519793
Chemical ID:
6519793
Name [?]:
2-[4-[[2-(4-methoxyphenyl)amino-4-oxo-thiazol-5-ylidene]methyl]phenoxy]acetic acid
SMILES [?]:
COc1ccc(cc1)NC2=NC(=O)C(=Cc3ccc(cc3)OCC(=O)O)S2
InChi [?]:
InChI=1/C19H16N2O5S/c1-25-14-8-4-13(5-9-14)20-19-21-18(24)16(27-19)10-12-2-6-15(7-3-12)26-11-17(22)23/h2-10H,11H2,1H3,(H,22,23)(H,20,21,24)
InChi Info:
AuxInfo=1/1/N:1,17,21,5,7,18,20,4,8,15,23,16,6,3,19,14,24,12,10,9,11,25,26,13,2,22,27/E:(2,3)(4,5)(6,7)(8,9)(22,23)/rA:27nCOCCCCCCNCNCOCCCCCCCCOCCOOS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;s22;s23;d24;s24;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N2O5S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.9392 |
Area: | 599.89 |
Solvation: | -6.05805 |
Coulombic: | -69.6567 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 384.407 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.57 |
LogP (Chemaxon): | 3.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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