Chemical ID: 7074233

CC1CC(CN(C1)S(=O)(=O)c2cccc(c2)c3csc(n3)NN=Cc4c(cccc4Cl)F)C
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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