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Chemical ID: 6314097

Cc1cccc(c1)N2C(=O)C(=C3c4ccccc4N(C3=O)CN5CCN(CC5)C)SC2=S

Chemical ID:

6314097

Name [?]:

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

SMILES [?]:

Cc1cccc(c1)N2C(=O)C(=C3c4ccccc4N(C3=O)CN5CCN(CC5)C)SC2=S

InChi [?]:

InChI=1/C24H24N4O2S2/c1-16-6-5-7-17(14-16)28-23(30)21(32-24(28)31)20-18-8-3-4-9-19(18)27(22(20)29)15-26-12-10-25(2)11-13-26/h3-9,14H,10-13,15H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,29,15,16,4,3,5,14,17,25,27,24,28,7,22,2,6,13,18,12,11,20,9,31,26,23,19,8,21,10,32,30/E:(10,11)(12,13)/rA:32nCCCCCCCNCOCCCCCCCCNCOCNCCNCCCSCS/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s12s19;d20;s19;s22;s23;s24;s25;s26;s23s27;s26;s11;s8s30;d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	13.2932
Area:	662.022
Solvation:	-3.25732
Coulombic:	-45.0168

Bond Count [?]

All:	36
Single:	26
Double:	10
Rotors:	3
Chiral:	1
Rigid Segments:	3

Chemical Properties

Molecular Weight:	464.605
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	2.47
LogP (Chemaxon):	3.75

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