Chemical ID: 7979033

CCOc1cc(ccc1OCc2ccccc2F)c3nc(cs3)CC(=O)O
Chemical ID:
7979033
Name [?]:
2-[2-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]thiazol-4-yl]acetic acid
SMILES [?]:
CCOc1cc(ccc1OCc2ccccc2F)c3nc(cs3)CC(=O)O
InChi [?]:
InChI=1/C20H18FNO4S/c1-2-25-18-9-13(20-22-15(12-27-20)10-19(23)24)7-8-17(18)26-11-14-5-3-4-6-16(14)21/h3-9,12H,2,10-11H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,14,15,13,16,7,8,5,24,11,22,6,12,21,17,9,4,25,19,18,20,26,27,3,10,23/E:(23,24)/rA:27nCCOCCCCCCOCCCCCCCFCNCCSCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s6;d19;s20;d21;s19s22;s21;s24;d25;s25;/rC:-.0187,1.5258,.0104;.0021,-.0041,.002;.6709,-.4649,-1.1737;.6582,-1.824,-1.126;.0579,-2.4729,-.0628;.0467,-3.8679,-.0169;.6414,-4.6019,-1.0444;1.2386,-3.9487,-2.1023;1.2449,-2.5624,-2.151;1.8347,-1.9231,-3.1957;2.3485,-2.936,-4.0629;3.0188,-2.29,-5.248;3.0632,-.9124,-5.3512;3.678,-.3196,-6.438;4.2492,-1.1038,-7.4231;4.2065,-2.4811,-7.3219;3.5955,-3.0761,-6.2309;3.5531,-4.4227,-6.1309;-.5933,-4.5665,1.1178;-.7057,-5.867,1.35;-1.3141,-6.3174,2.4226;-1.8426,-5.4432,3.319;-1.4176,-3.8851,2.5507;-1.4266,-7.8014,2.6593;-2.0719,-8.4533,1.4636;-2.4061,-7.7817,.5164;-2.2753,-9.78,1.4508;

Chemical Details

Atom Count
Formula:C20H18FNO4S
All Atoms:45
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.9338
Area:607.334
Solvation:-6.24956
Coulombic:-50.5612
Bond Count [?]
All:47
Single:38
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:387.426
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.74
LogP (Chemaxon):4.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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