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Chemical ID: 7074229

CC1CCN(CC1)S(=O)(=O)c2cccc(c2)c3csc(n3)NN=Cc4c(cccc4Cl)F

Chemical ID:

7074229

Name [?]:

N-[(2-chloro-6-fluoro-phenyl)methyleneamino]-4-[3-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-thiazol-2-amine

SMILES [?]:

CC1CCN(CC1)S(=O)(=O)c2cccc(c2)c3csc(n3)NN=Cc4c(cccc4Cl)F

InChi [?]:

InChI=1/C22H22ClFN4O2S2/c1-15-8-10-28(11-9-15)32(29,30)17-5-2-4-16(12-17)21-14-31-22(26-21)27-25-13-18-19(23)6-3-7-20(18)24/h2-7,12-15H,8-11H2,1H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,13,28,14,12,29,27,3,7,4,6,16,24,18,2,15,11,25,30,26,17,20,31,32,23,21,22,5,9,10,19,8/E:(8,9)(10,11)(29,30)/CRV:32.6/rA:32nCCCCNCCSOOCCCCCCCCSCNNNCCCCCCCClF/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;d8;s8;s11;d12;s13;d14;d11s15;s15;d17;s18;s19;s17d20;s20;s22;w23;s24;s25;d26;s27;d28;d25s29;s30;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₂ClFN₄O₂S₂
All Atoms:	54
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.9678
Area:	704.984
Solvation:	-4.65677
Coulombic:	-28.0452

Bond Count [?]

All:	35
Single:	24
Double:	11
Rotors:	6
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	493.019
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.42
LogP (Chemaxon):	5.99

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