Chemical ID: 7323605

Cc1c(nc(s1)NC(=O)COc2ccc(cc2)F)c3ccc(cc3)OC
Chemical ID:
7323605
Name [?]:
2-(4-fluorophenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-acetamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)COc2ccc(cc2)F)c3ccc(cc3)OC
InChi [?]:
InChI=1/C19H17FN2O3S/c1-12-18(13-3-7-15(24-2)8-4-13)22-19(26-12)21-17(23)11-25-16-9-5-14(20)6-10-16/h3-10H,11H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,26,20,24,14,16,21,23,13,17,10,2,19,15,22,12,8,3,5,18,7,4,9,25,11,6/E:(3,4)(5,6)(7,8)(9,10)/rA:26nCCCNCSNCOCOCCCCCCFCCCCCCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;s3;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17FN2O3S
All Atoms:43
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:7.85772
Area:584.296
Solvation:-6.74968
Coulombic:-44.3438
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:372.414
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.44
LogP (Chemaxon):4.1

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Experimental Annotations

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Descriptor Annotations

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