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Chemical ID: 7074223

CCCN(CCC)S(=O)(=O)c1cccc(c1)c2csc(n2)NN=Cc3cccc(c3OC)OC

Chemical ID:

7074223

Name [?]:

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

SMILES [?]:

CCCN(CCC)S(=O)(=O)c1cccc(c1)c2csc(n2)NN=Cc3cccc(c3OC)OC

InChi [?]:

InChI=1/C24H30N4O4S2/c1-5-13-28(14-6-2)34(29,30)20-11-7-9-18(15-20)21-17-33-24(26-21)27-25-16-19-10-8-12-22(31-3)23(19)32-4/h7-12,15-17H,5-6,13-14H2,1-4H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,7,34,32,2,6,13,27,14,26,12,28,3,5,16,24,18,15,25,11,17,29,30,20,23,21,22,4,9,10,33,31,19,8/E:(1,2)(5,6)(13,14)(29,30)/CRV:34.6/rA:34nCCCNCCCSOOCCCCCCCCSCNNNCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;s4;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:	C₂₄H₃₀N₄O₄S₂
All Atoms:	64
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	12.0061
Area:	747.182
Solvation:	-6.67345
Coulombic:	-38.5618

Bond Count [?]

All:	36
Single:	25
Double:	11
Rotors:	12
Chiral:	1
Rigid Segments:	10

Chemical Properties

Molecular Weight:	502.652
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	5.39
LogP (Chemaxon):	5.39

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