Chemical ID: 7074204

CC1CCCN(C1)S(=O)(=O)c2cccc(c2)c3csc(n3)NN=Cc4ccc(cc4)Cl
Chemical ID:
7074204
Name [?]:
N-[(4-chlorophenyl)methyleneamino]-4-[3-[(3-methyl-1-piperidyl)sulfonyl]phenyl]-thiazol-2-amine
SMILES [?]:
CC1CCCN(C1)S(=O)(=O)c2cccc(c2)c3csc(n3)NN=Cc4ccc(cc4)Cl
InChi [?]:
InChI=1/C22H23ClN4O2S2/c1-16-4-3-11-27(14-16)31(28,29)20-6-2-5-18(12-20)21-15-30-22(25-21)26-24-13-17-7-9-19(23)10-8-17/h2,5-10,12-13,15-16H,3-4,11,14H2,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,13,4,3,14,12,26,30,27,29,5,16,24,7,18,2,25,15,28,11,17,20,31,23,21,22,6,9,10,19,8/E:(7,8)(9,10)(28,29)/CRV:31.6/rA:31cCCCCCNCSOOCCCCCCCCSCNNNCCCCCCCCl/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;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23ClN4O2S2
All Atoms:54
Heavy Atoms:31
Chiral Atoms:2
ZAP Information [?]
Total:14.2908
Area:708.793
Solvation:-3.429
Coulombic:-25.9346
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:6.05
LogP (Chemaxon):5.92

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