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Chemical ID: 7074175

Cc1ccc(cc1)C=NNc2nc(cs2)c3cccc(c3)S(=O)(=O)N4CCCC(C4)C

Chemical ID:

7074175

Name [?]:

4-[3-[(3-methyl-1-piperidyl)sulfonyl]phenyl]-N-(p-tolylmethyleneamino)thiazol-2-amine

SMILES [?]:

Cc1ccc(cc1)C=NNc2nc(cs2)c3cccc(c3)S(=O)(=O)N4CCCC(C4)C

InChi [?]:

InChI=1/C23H26N4O2S2/c1-17-8-10-19(11-9-17)14-24-26-23-25-22(16-30-23)20-6-3-7-21(13-20)31(28,29)27-12-4-5-18(2)15-27/h3,6-11,13-14,16,18H,4-5,12,15H2,1-2H3,(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,31,18,27,28,17,19,3,7,4,6,26,21,8,30,14,2,29,5,16,20,13,11,9,12,10,25,23,24,15,22/E:(8,9)(10,11)(28,29)/CRV:31.6/rA:31cCCCCCCCCNNCNCCSCCCCCCSOONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;d11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;s20;d22;d22;s22;s25;s26;s27;s28;s25s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₆N₄O₂S₂
All Atoms:	57
Heavy Atoms:	31
Chiral Atoms:	2

ZAP Information [?]

Total:	14.0065
Area:	699.707
Solvation:	-3.48615
Coulombic:	-25.585

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	6
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	454.61
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.86
LogP (Chemaxon):	5.87

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value