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Chemical ID: 7326572
Chemical ID:
7326572
Name [?]:
2-(4-benzothiazol-2-yl-1-piperidyl)-N-(2,4-difluorophenyl)-acetamide
SMILES [?]:
c1ccc2c(c1)nc(s2)C3CCN(CC3)CC(=O)Nc4ccc(cc4F)F
InChi [?]:
InChI=1/C20H19F2N3OS/c21-14-5-6-16(15(22)11-14)23-19(26)12-25-9-7-13(8-10-25)20-24-17-3-1-2-4-18(17)27-20/h1-6,11,13H,7-10,12H2,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,22,21,11,15,12,14,24,16,10,23,25,20,5,4,17,8,27,26,19,7,13,18,9/E:(7,8)(9,10)/rA:27nCCCCCCNCSCCCNCCCCONCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s12;s13;s10s14;s13;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19F2N3OS |
All Atoms: | 46 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.051 |
Area: | 577.321 |
Solvation: | -4.38202 |
Coulombic: | -38.9766 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 387.447 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.91 |
LogP (Chemaxon): | 3.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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