Chemical ID: 6009148

CC(C)CCN(CC(=O)Nc1nccs1)C(=O)c2ccc(cc2)F
Chemical ID:
6009148
Name [?]:
4-fluoro-N-isopentyl-N-(thiazol-2-ylcarbamoylmethyl)benzamide
SMILES [?]:
CC(C)CCN(CC(=O)Nc1nccs1)C(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C17H20FN3O2S/c1-12(2)7-9-21(11-15(22)20-17-19-8-10-24-17)16(23)13-3-5-14(18)6-4-13/h3-6,8,10,12H,7,9,11H2,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,19,23,20,22,4,13,5,14,7,2,18,21,8,16,11,24,12,10,6,9,17,15/E:(1,2)(3,4)(5,6)/rA:24nCCCCCNCCONCNCCSCOCCCCCCF/rB:s1;s2;s2;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s6;d16;s16;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20FN3O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.92072
Area:555.746
Solvation:-4.97294
Coulombic:-46.3485
Bond Count [?]
All:25
Single:18
Double:7
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:349.424
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.9
LogP (Chemaxon):3.21

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