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Chemical ID: 7074234

CC1CCCN(C1)S(=O)(=O)c2cccc(c2)c3csc(n3)NN=Cc4c(cccc4Cl)F

Chemical ID:

7074234

Name [?]:

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

SMILES [?]:

CC1CCCN(C1)S(=O)(=O)c2cccc(c2)c3csc(n3)NN=Cc4c(cccc4Cl)F

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,13,28,4,3,14,12,29,27,5,16,24,7,18,2,15,11,25,30,26,17,20,31,32,23,21,22,6,9,10,19,8/E:(29,30)/CRV:32.6/rA:32cCCCCCNCSOOCCCCCCCCSCNNNCCCCCCCClF/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;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₂ClFN₄O₂S₂
All Atoms:	54
Heavy Atoms:	32
Chiral Atoms:	2

ZAP Information [?]

Total:	12.9232
Area:	701.961
Solvation:	-4.62584
Coulombic:	-28.1568

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:	6.21
LogP (Chemaxon):	6.06

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value