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Chemical ID: 7074105
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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