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Chemical ID: 4824492

CN(C)S(=O)(=O)c1ccc(cc1)c2csc(n2)NN=Cc3ccc(c(c3)OC)OC

Chemical ID:

4824492

Name [?]:

4-[2-[(3,4-dimethoxyphenyl)methyleneaminoamino]thiazol-4-yl]-N,N-dimethyl-benzenesulfonamide

SMILES [?]:

CN(C)S(=O)(=O)c1ccc(cc1)c2csc(n2)NN=Cc3ccc(c(c3)OC)OC

InChi [?]:

InChI=1/C20H22N4O4S2/c1-24(2)30(25,26)16-8-6-15(7-9-16)17-13-29-20(22-17)23-21-12-14-5-10-18(27-3)19(11-14)28-4/h5-13H,1-4H3,(H,22,23)

InChi Info:

AuxInfo=1/1/N:1,3,30,28,22,9,11,8,12,23,26,20,14,21,10,7,13,24,25,16,19,17,18,2,5,6,29,27,15,4/E:(1,2)(6,7)(8,9)(25,26)/CRV:30.6/rA:30nCNCSOOCCCCCCCCSCNNNCCCCCCCOCOC/rB:s1;s2;s2;d4;d4;s4;s7;d8;s9;d10;d7s11;s10;d13;s14;s15;s13d16;s16;s18;w19;s20;s21;d22;s23;d24;d21s25;s25;s27;s24;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₂N₄O₄S₂
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	9.91316
Area:	675.123
Solvation:	-6.96491
Coulombic:	-36.9983

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	8
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	446.545
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	3.83
LogP (Chemaxon):	3.77

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value