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Chemical ID: 7074221

CC1CCN(CC1)S(=O)(=O)c2cccc(c2)c3csc(n3)NN=Cc4cccc(c4OC)OC

Chemical ID:

7074221

Name [?]:

N-[(2,3-dimethoxyphenyl)methyleneamino]-4-[3-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-thiazol-2-amine

SMILES [?]:

CC1CCN(CC1)S(=O)(=O)c2cccc(c2)c3csc(n3)NN=Cc4cccc(c4OC)OC

InChi [?]:

InChI=1/C24H28N4O4S2/c1-17-10-12-28(13-11-17)34(29,30)20-8-4-6-18(14-20)21-16-33-24(26-21)27-25-15-19-7-5-9-22(31-2)23(19)32-3/h4-9,14-17H,10-13H2,1-3H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,34,32,13,27,14,26,12,28,3,7,4,6,16,24,18,2,15,25,11,17,29,30,20,23,21,22,5,9,10,33,31,19,8/E:(10,11)(12,13)(29,30)/CRV:34.6/rA:34nCCCCNCCSOOCCCCCCCCSCNNNCCCCCCCOCOC/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;s31;s29;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₈N₄O₄S₂
All Atoms:	62
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	11.2362
Area:	717.997
Solvation:	-6.71372
Coulombic:	-38.0427

Bond Count [?]

All:	37
Single:	26
Double:	11
Rotors:	8
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	500.636
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	5.2
LogP (Chemaxon):	4.82

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

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Chemical Mix	Source	External ID	Descriptor	Value