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Chemical ID: 7074165

Cc1ccc(cc1)C=NNc2nc(cs2)c3cccc(c3)S(=O)(=O)N4CCCCC4

Chemical ID:

7074165

Name [?]:

4-[3-(1-piperidylsulfonyl)phenyl]-N-(p-tolylmethyleneamino)thiazol-2-amine

SMILES [?]:

Cc1ccc(cc1)C=NNc2nc(cs2)c3cccc(c3)S(=O)(=O)N4CCCCC4

InChi [?]:

InChI=1/C22H24N4O2S2/c1-17-8-10-18(11-9-17)15-23-25-22-24-21(16-29-22)19-6-5-7-20(14-19)30(27,28)26-12-3-2-4-13-26/h5-11,14-16H,2-4,12-13H2,1H3,(H,24,25)

InChi Info:

AuxInfo=1/1/N:1,28,27,29,18,17,19,3,7,4,6,26,30,21,8,14,2,5,16,20,13,11,9,12,10,25,23,24,15,22/E:(3,4)(8,9)(10,11)(12,13)(27,28)/CRV:30.6/rA:30nCCCCCCCCNNCNCCSCCCCCCSOONCCCCC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₄N₄O₂S₂
All Atoms:	54
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	13.4005
Area:	668.494
Solvation:	-3.3118
Coulombic:	-25.3443

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	6
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	440.584
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.57
LogP (Chemaxon):	5.46

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value