Chemical ID: 7326572

c1ccc2c(c1)nc(s2)C3CCN(CC3)CC(=O)Nc4ccc(cc4F)F
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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