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Chemical ID: 4874734

CN(C)c1ccc(cc1)C=NNc2nc(cs2)c3cccc(c3)S(=O)(=O)N4CCOCC4

Chemical ID:

4874734

Name [?]:

N-[(4-dimethylaminophenyl)methyleneamino]-4-(3-morpholinosulfonylphenyl)-thiazol-2-amine

SMILES [?]:

CN(C)c1ccc(cc1)C=NNc2nc(cs2)c3cccc(c3)S(=O)(=O)N4CCOCC4

InChi [?]:

InChI=1/C22H25N5O3S2/c1-26(2)19-8-6-17(7-9-19)15-23-25-22-24-21(16-31-22)18-4-3-5-20(14-18)32(28,29)27-10-12-30-13-11-27/h3-9,14-16H,10-13H2,1-2H3,(H,24,25)

InChi Info:

AuxInfo=1/1/N:1,3,20,19,21,6,8,5,9,28,32,29,31,23,10,16,7,18,4,22,15,13,11,14,12,2,27,25,26,30,17,24/E:(1,2)(6,7)(8,9)(10,11)(12,13)(28,29)/CRV:32.6/rA:32nCNCCCCCCCCNNCNCCSCCCCCCSOONCCOCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s22;d24;d24;s24;s27;s28;s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₅N₅O₃S₂
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.626
Area:	707.154
Solvation:	-5.05287
Coulombic:	-38.3777

Bond Count [?]

All:	35
Single:	24
Double:	11
Rotors:	7
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	471.598
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	4.07
LogP (Chemaxon):	4.2

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