Chemical ID: 7074121

CC1CCN(CC1)S(=O)(=O)c2cccc(c2)c3csc(n3)NN=Cc4ccccc4Cl
Chemical ID:
7074121
Name [?]:
N-[(2-chlorophenyl)methyleneamino]-4-[3-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-thiazol-2-amine
SMILES [?]:
CC1CCN(CC1)S(=O)(=O)c2cccc(c2)c3csc(n3)NN=Cc4ccccc4Cl
InChi [?]:
InChI=1/C22H23ClN4O2S2/c1-16-9-11-27(12-10-16)31(28,29)19-7-4-6-17(13-19)21-15-30-22(25-21)26-24-14-18-5-2-3-8-20(18)23/h2-8,13-16H,9-12H2,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,27,28,13,26,14,12,29,3,7,4,6,16,24,18,2,15,25,11,30,17,20,31,23,21,22,5,9,10,19,8/E:(9,10)(11,12)(28,29)/CRV:31.6/rA:31nCCCCNCCSOOCCCCCCCCSCNNNCCCCCCCCl/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;d8;s8;s11;d12;s13;d14;d11s15;s15;d17;s18;s19;s17d20;s20;s22;w23;s24;s25;d26;s27;d28;d25s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23ClN4O2S2
All Atoms:54
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.3886
Area:682.225
Solvation:-3.667
Coulombic:-25.4694
Bond Count [?]
All:34
Single:23
Double:11
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:475.028
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.26
LogP (Chemaxon):5.85

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Descriptor Annotations

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