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Chemical ID: 6217905
Chemical ID:
6217905
Name [?]:
3-fluoro-N-[4-(4-propoxyphenyl)thiazol-2-yl]-benzamide
SMILES [?]:
CCCOc1ccc(cc1)c2csc(n2)NC(=O)c3cccc(c3)F
InChi [?]:
InChI=1/C19H17FN2O2S/c1-2-10-24-16-8-6-13(7-9-16)17-12-25-19(21-17)22-18(23)14-4-3-5-15(20)11-14/h3-9,11-12H,2,10H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,21,20,22,7,9,6,10,3,24,12,8,19,23,5,11,17,14,25,15,16,18,4,13/E:(6,7)(8,9)/rA:25nCCCOCCCCCCCCSCNNCOCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17FN2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0035 |
Area: | 575.435 |
Solvation: | -4.38235 |
Coulombic: | -39.5047 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 356.415 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.69 |
LogP (Chemaxon): | 5.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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