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Chemical ID: 7027162

CC1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3csc(n3)NN=Cc4ccc(cc4)Cl

Chemical ID:

7027162

Name [?]:

N-[(4-chlorophenyl)methyleneamino]-4-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-thiazol-2-amine

SMILES [?]:

CC1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3csc(n3)NN=Cc4ccc(cc4)Cl

InChi [?]:

InChI=1/C22H23ClN4O2S2/c1-16-10-12-27(13-11-16)31(28,29)20-8-4-18(5-9-20)21-15-30-22(25-21)26-24-14-17-2-6-19(23)7-3-17/h2-9,14-16H,10-13H2,1H3,(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,26,30,13,15,27,29,12,16,3,7,4,6,24,18,2,25,14,28,11,17,20,31,23,21,22,5,9,10,19,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(28,29)/CRV:31.6/rA:31nCCCCNCCSOOCCCCCCCCSCNNNCCCCCCCCl/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;d8;s8;s11;d12;s13;d14;d11s15;s14;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:	0

ZAP Information [?]

Total:	14.3579
Area:	712.672
Solvation:	-3.45893
Coulombic:	-25.8483

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:	6.26
LogP (Chemaxon):	5.85

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