Chemical ID: 7074101

CC1CCN(CC1)S(=O)(=O)c2cccc(c2)c3csc(n3)NN=Cc4ccc(cc4Cl)Cl
Chemical ID:
7074101
Name [?]:
N-[(2,4-dichlorophenyl)methyleneamino]-4-[3-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-thiazol-2-amine
SMILES [?]:
CC1CCN(CC1)S(=O)(=O)c2cccc(c2)c3csc(n3)NN=Cc4ccc(cc4Cl)Cl
InChi [?]:
InChI=1/C22H22Cl2N4O2S2/c1-15-7-9-28(10-8-15)32(29,30)19-4-2-3-16(11-19)21-14-31-22(26-21)27-25-13-17-5-6-18(23)12-20(17)24/h2-6,11-15H,7-10H2,1H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,13,14,12,26,27,3,7,4,6,16,29,24,18,2,15,25,28,11,30,17,20,32,31,23,21,22,5,9,10,19,8/E:(7,8)(9,10)(29,30)/CRV:32.6/rA:32nCCCCNCCSOOCCCCCCCCSCNNNCCCCCCCClCl/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;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22Cl2N4O2S2
All Atoms:54
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:14.249
Area:717.164
Solvation:-3.68006
Coulombic:-25.2699
Bond Count [?]
All:35
Single:24
Double:11
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:509.473
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.88
LogP (Chemaxon):6.36

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