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Chemical ID: 6314090

CN1CCN(CC1)CN2c3ccccc3C(=C4C(=O)N(C(=S)S4)c5ccc(cc5)OC)C2=O

Chemical ID:

6314090

Name [?]:

3-[3-(4-methoxyphenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]-1-[(4-methylpiperazin-1-yl)methyl]indolin-2-one

SMILES [?]:

CN1CCN(CC1)CN2c3ccccc3C(=C4C(=O)N(C(=S)S4)c5ccc(cc5)OC)C2=O

InChi [?]:

InChI=1/C24H24N4O3S2/c1-25-11-13-26(14-12-25)15-27-19-6-4-3-5-18(19)20(22(27)29)21-23(30)28(24(32)33-21)16-7-9-17(31-2)10-8-16/h3-10H,11-15H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,31,13,12,14,11,25,29,26,28,3,7,4,6,8,24,27,15,10,16,17,32,18,21,2,5,9,20,33,19,30,22,23/E:(7,8)(9,10)(11,12)(13,14)/rA:33nCNCCNCCCNCCCCCCCCCONCSSCCCCCCOCCO/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;w16;s17;d18;s18;s20;d21;s17s21;s20;s24;d25;s26;d27;d24s28;s27;s30;s9s16;d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₄N₄O₃S₂
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	12.351
Area:	679.821
Solvation:	-4.64448
Coulombic:	-51.2521

Bond Count [?]

All:	37
Single:	27
Double:	10
Rotors:	4
Chiral:	1
Rigid Segments:	4

Chemical Properties

Molecular Weight:	480.605
H-Bond Donors:	0
H-Bond Acceptors:	7
XLogP:	1.95
LogP (Chemaxon):	3.03

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