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Chemical ID: 7074265

CCN(CC)S(=O)(=O)c1cccc(c1)c2csc(n2)NN=Cc3cccc4c3cccc4

Chemical ID:

7074265

Name [?]:

N,N-diethyl-3-[2-(1-naphthylmethyleneaminoamino)thiazol-4-yl]-benzenesulfonamide

SMILES [?]:

CCN(CC)S(=O)(=O)c1cccc(c1)c2csc(n2)NN=Cc3cccc4c3cccc4

InChi [?]:

InChI=1/C24H24N4O2S2/c1-3-28(4-2)32(29,30)21-13-8-11-19(15-21)23-17-31-24(26-23)27-25-16-20-12-7-10-18-9-5-6-14-22(18)20/h5-17H,3-4H2,1-2H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,5,2,4,31,30,25,11,32,26,12,24,10,29,14,22,16,27,13,23,9,28,15,18,21,19,20,3,7,8,17,6/E:(1,2)(3,4)(29,30)/CRV:32.6/rA:32nCCNCCSOOCCCCCCCCSCNNNCCCCCCCCCCC/rB:s1;s2;s3;s4;s3;d6;d6;s6;s9;d10;s11;d12;d9s13;s13;d15;s16;s17;s15d18;s18;s20;w21;s22;s23;d24;s25;d26;d23s27;s28;d29;s30;s27d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₄N₄O₂S₂
All Atoms:	56
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	13.4409
Area:	681.828
Solvation:	-3.60484
Coulombic:	-26.2755

Bond Count [?]

All:	35
Single:	22
Double:	13
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	464.605
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.38
LogP (Chemaxon):	5.96

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