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Chemical ID: 7323605
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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