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Chemical ID: 6445643
Chemical ID:
6445643
Name [?]:
2-[4-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)amino-thiazol-5-yl]acetic acid
SMILES [?]:
COc1ccc(c(c1)c2c(sc(n2)Nc3ccccc3F)CC(=O)O)OC
InChi [?]:
InChI=1/C19H17FN2O4S/c1-25-11-7-8-15(26-2)12(9-11)18-16(10-17(23)24)27-19(22-18)21-14-6-4-3-5-13(14)20/h3-9H,10H2,1-2H3,(H,21,22)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,27,18,17,19,16,4,5,8,22,3,7,20,15,6,10,23,9,12,21,14,13,24,25,2,26,11/E:(23,24)/rA:27nCOCCCCCCCCSCNNCCCCCCFCCOOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s10;s11;s9d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s10;s22;d23;s23;s6;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17FN2O4S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.7773 |
Area: | 577.463 |
Solvation: | -6.65928 |
Coulombic: | -60.7234 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 388.414 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.11 |
LogP (Chemaxon): | 3.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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