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Chemical ID: 6007226
Chemical ID:
6007226
Name [?]:
N-cyclohexyl-4-fluoro-N-(thiazol-2-ylcarbamoylmethyl)benzamide
SMILES [?]:
c1cc(ccc1C(=O)N(CC(=O)Nc2nccs2)C3CCCCC3)F
InChi [?]:
InChI=1/C18H20FN3O2S/c19-14-8-6-13(7-9-14)17(24)22(15-4-2-1-3-5-15)12-16(23)21-18-20-10-11-25-18/h6-11,15H,1-5,12H2,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:22,21,23,20,24,1,5,2,4,16,17,10,6,3,19,11,7,14,25,15,13,9,12,8,18/E:(2,3)(4,5)(6,7)(8,9)/rA:25nCCCCCCCONCCONCNCCSCCCCCCF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s11;s13;d14;s15;d16;s14s17;s9;s19;s20;s21;s22;s19s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20FN3O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.62624 |
Area: | 531.327 |
Solvation: | -4.65693 |
Coulombic: | -46.5806 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 361.435 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.87 |
LogP (Chemaxon): | 3.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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