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Chemical ID: 6009148
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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