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Chemical ID: 5938459
Chemical ID:
5938459
Name [?]:
N-[4-[2-(cyclohexyl-methyl-amino)thiazol-4-yl]phenyl]-2-fluoro-benzamide
SMILES [?]:
CN(c1nc(cs1)c2ccc(cc2)NC(=O)c3ccccc3F)C4CCCCC4
InChi [?]:
InChI=1/C23H24FN3OS/c1-27(18-7-3-2-4-8-18)23-26-21(15-29-23)16-11-13-17(14-12-16)25-22(28)19-9-5-6-10-20(19)24/h5-6,9-15,18H,2-4,7-8H2,1H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,27,26,28,19,20,25,29,18,21,9,13,10,12,6,8,11,24,17,22,5,15,3,23,14,4,2,16,7/E:(3,4)(7,8)(11,12)(13,14)/rA:29nCNCNCCSCCCCCCNCOCCCCCCFCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s5;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;s2;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24FN3OS |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7351 |
Area: | 634.054 |
Solvation: | -4.11621 |
Coulombic: | -39.289 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 409.521 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.03 |
LogP (Chemaxon): | 6.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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