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Chemical ID: 7074125

CC1CC(CN(C1)S(=O)(=O)c2cccc(c2)c3csc(n3)NN=Cc4ccccc4Cl)C

Chemical ID:

7074125

Name [?]:

N-[(2-chlorophenyl)methyleneamino]-4-[3-[(3,5-dimethyl-1-piperidyl)sulfonyl]phenyl]-thiazol-2-amine

SMILES [?]:

CC1CC(CN(C1)S(=O)(=O)c2cccc(c2)c3csc(n3)NN=Cc4ccccc4Cl)C

InChi [?]:

InChI=1/C23H25ClN4O2S2/c1-16-10-17(2)14-28(13-16)32(29,30)20-8-5-7-18(11-20)22-15-31-23(26-22)27-25-12-19-6-3-4-9-21(19)24/h3-9,11-12,15-17H,10,13-14H2,1-2H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,32,27,28,13,26,14,12,29,3,16,24,7,5,18,2,4,15,25,11,30,17,20,31,23,21,22,6,9,10,19,8/E:(1,2)(13,14)(16,17)(29,30)/CRV:32.6/rA:32cCCCCCNCSOOCCCCCCCCSCNNNCCCCCCCClC/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;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₅ClN₄O₂S₂
All Atoms:	57
Heavy Atoms:	32
Chiral Atoms:	2

ZAP Information [?]

Total:	13.9129
Area:	701.037
Solvation:	-3.61302
Coulombic:	-25.9793

Bond Count [?]

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

Chemical Properties

Molecular Weight:	489.055
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.34
LogP (Chemaxon):	6.32

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