Chemical ID: 4488970

c1ccc(cc1)OCCCC(=O)Nc2nc(cs2)c3ccc(cc3)F
Chemical ID:
4488970
Name [?]:
N-[4-(4-fluorophenyl)thiazol-2-yl]-4-phenoxy-butanamide
SMILES [?]:
c1ccc(cc1)OCCCC(=O)Nc2nc(cs2)c3ccc(cc3)F
InChi [?]:
InChI=1/C19H17FN2O2S/c20-15-10-8-14(9-11-15)17-13-25-19(21-17)22-18(23)7-4-12-24-16-5-2-1-3-6-16/h1-3,5-6,8-11,13H,4,7,12H2,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,9,3,5,10,20,24,21,23,8,17,19,22,4,16,11,14,25,15,13,12,7,18/E:(2,3)(5,6)(8,9)(10,11)/rA:25nCCCCCCOCCCCONCNCCSCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17FN2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.41753
Area:582.189
Solvation:-5.13721
Coulombic:-37.7768
Bond Count [?]
All:27
Single:18
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:356.415
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.19
LogP (Chemaxon):4.79

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