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Chemical ID: 7074233
Chemical ID:
7074233
Name [?]:
N-[(2-chloro-6-fluoro-phenyl)methyleneamino]-4-[3-[(3,5-dimethyl-1-piperidyl)sulfonyl]phenyl]-thiazol-2-amine
SMILES [?]:
CC1CC(CN(C1)S(=O)(=O)c2cccc(c2)c3csc(n3)NN=Cc4c(cccc4Cl)F)C
InChi [?]:
InChI=1/C23H24ClFN4O2S2/c1-15-9-16(2)13-29(12-15)33(30,31)18-6-3-5-17(10-18)22-14-32-23(27-22)28-26-11-19-20(24)7-4-8-21(19)25/h3-8,10-11,14-16H,9,12-13H2,1-2H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,33,13,28,14,12,29,27,3,16,24,7,5,18,2,4,15,11,25,30,26,17,20,31,32,23,21,22,6,9,10,19,8/E:(1,2)(12,13)(15,16)(30,31)/CRV:33.6/rA:33cCCCCCNCSOOCCCCCCCCSCNNNCCCCCCCClFC/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;d8;s8;s11;d12;s13;d14;d11s15;s15;d17;s18;s19;s17d20;s20;s22;w23;s24;s25;d26;s27;d28;d25s29;s30;s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24ClFN4O2S2 |
All Atoms: | 57 |
Heavy Atoms: | 33 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 13.5003 |
Area: | 724.29 |
Solvation: | -4.60698 |
Coulombic: | -28.5567 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 507.046 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 6.51 |
LogP (Chemaxon): | 6.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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