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Chemical ID: 6031854
Chemical ID:
6031854
Name [?]:
[2-[[(2-fluorophenyl)methyl-[(4-fluorophenyl)methyl]amino]methyl]thiazol-4-yl]-morpholino-methanone
SMILES [?]:
c1ccc(c(c1)CN(Cc2ccc(cc2)F)Cc3nc(cs3)C(=O)N4CCOCC4)F
InChi [?]:
InChI=1/C23H23F2N3O2S/c24-19-7-5-17(6-8-19)13-27(14-18-3-1-2-4-20(18)25)15-22-26-21(16-31-22)23(29)28-9-11-30-12-10-28/h1-8,16H,9-15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,11,15,12,14,26,30,27,29,9,7,17,21,10,5,13,4,20,18,23,16,31,19,8,25,24,28,22/E:(5,6)(7,8)(9,10)(11,12)/rA:31cCCCCCCCNCCCCCCCFCCNCCSCONCCOCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;s17;d18;s19;d20;s18s21;s20;d23;s23;s25;s26;s27;s28;s25s29;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23F2N3O2S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.56193 |
Area: | 579.564 |
Solvation: | -5.92717 |
Coulombic: | -46.0249 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 443.511 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.19 |
LogP (Chemaxon): | 3.58 |
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.
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