Chemical ID: 5945709

CCCCCN(Cc1nc(cs1)C(=O)OCC)C(=O)c2ccccc2F
Chemical ID:
5945709
Name [?]:
ethyl 2-[[(2-fluorobenzoyl)-pentyl-amino]methyl]thiazole-4-carboxylate
SMILES [?]:
CCCCCN(Cc1nc(cs1)C(=O)OCC)C(=O)c2ccccc2F
InChi [?]:
InChI=1/C19H23FN2O3S/c1-3-5-8-11-22(18(23)14-9-6-7-10-15(14)20)12-17-21-16(13-26-17)19(24)25-4-2/h6-7,9-10,13H,3-5,8,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,2,16,3,22,23,4,21,24,5,7,11,20,25,10,8,18,13,26,9,6,19,14,15,12/rA:26nCCCCCNCCNCCSCOOCCCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s8s11;s10;d13;s13;s15;s16;s6;d18;s18;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23FN2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.0266
Area:614.646
Solvation:-4.33954
Coulombic:-48.187
Bond Count [?]
All:27
Single:20
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:378.462
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.25
LogP (Chemaxon):3.61

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