Chemical ID: 5436631

CCOc1ccccc1C(=O)Nc2ncc(s2)Cc3ccccc3F
Chemical ID:
5436631
Name [?]:
2-ethoxy-N-[5-[(2-fluorophenyl)methyl]thiazol-2-yl]-benzamide
SMILES [?]:
CCOc1ccccc1C(=O)Nc2ncc(s2)Cc3ccccc3F
InChi [?]:
InChI=1/C19H17FN2O2S/c1-2-24-17-10-6-4-8-15(17)18(23)22-19-21-12-14(25-19)11-13-7-3-5-9-16(13)20/h3-10,12H,2,11H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,21,7,22,6,20,8,23,5,18,15,19,16,9,24,4,10,13,25,14,12,11,3,17/rA:25nCCOCCCCCCCONCNCCSCCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s16;s18;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17FN2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.36052
Area:563.357
Solvation:-5.7234
Coulombic:-37.6227
Bond Count [?]
All:27
Single:18
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:356.415
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.44
LogP (Chemaxon):4.27

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