Chemical ID: 4232111

COc1ccc(c(c1)c2c(sc(n2)Nc3ccccc3Cl)CC(=O)O)OC
Chemical ID:
4232111
Name [?]:
2-[2-(2-chlorophenyl)amino-4-(2,5-dimethoxyphenyl)-thiazol-5-yl]acetic acid
SMILES [?]:
COc1ccc(c(c1)c2c(sc(n2)Nc3ccccc3Cl)CC(=O)O)OC
InChi [?]:
InChI=1/C19H17ClN2O4S/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:27nCOCCCCCCCCSCNNCCCCCCClCCOOOC/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:C19H17ClN2O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.13151
Area:601.533
Solvation:-5.90682
Coulombic:-57.3902
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:404.868
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.57
LogP (Chemaxon):3.93

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Descriptor Annotations

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