Chemical ID: 7074105

CC1CC(CN(C1)S(=O)(=O)c2cccc(c2)c3csc(n3)NN=Cc4ccc(cc4Cl)Cl)C
Chemical ID:
7074105
Name [?]:
N-[(2,4-dichlorophenyl)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=Cc4ccc(cc4Cl)Cl)C
InChi [?]:
InChI=1/C23H24Cl2N4O2S2/c1-15-8-16(2)13-29(12-15)33(30,31)20-5-3-4-17(9-20)22-14-32-23(27-22)28-26-11-18-6-7-19(24)10-21(18)25/h3-7,9-11,14-16H,8,12-13H2,1-2H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,33,13,14,12,26,27,3,16,29,24,7,5,18,2,4,15,25,28,11,30,17,20,32,31,23,21,22,6,9,10,19,8/E:(1,2)(12,13)(15,16)(30,31)/CRV:33.6/rA:33cCCCCCNCSOOCCCCCCCCSCNNNCCCCCCCClClC/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;s28;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24Cl2N4O2S2
All Atoms:57
Heavy Atoms:33
Chiral Atoms:2
ZAP Information [?]
Total:14.775
Area:736.993
Solvation:-3.64982
Coulombic:-25.7807
Bond Count [?]
All:36
Single:25
Double:11
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:523.5
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.97
LogP (Chemaxon):6.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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