Chemical ID: 6217905

CCCOc1ccc(cc1)c2csc(n2)NC(=O)c3cccc(c3)F
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

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