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Chemical ID: 6437587

CCn1c(=O)c(=C2N(c3ccccc3S2)C)sc1=C4C(=NN(C4=O)c5ccc(cc5)Cl)C

Chemical ID:

6437587

Name [?]:

2-[1-(4-chlorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]-3-ethyl-5-(3-methylbenzothiazol-2-ylidene)-thiazolidin-4-one

SMILES [?]:

CCn1c(=O)c(=C2N(c3ccccc3S2)C)sc1=C4C(=NN(C4=O)c5ccc(cc5)Cl)C

InChi [?]:

InChI=1/C23H19ClN4O2S2/c1-4-27-21(30)19(23-26(3)16-7-5-6-8-17(16)31-23)32-22(27)18-13(2)25-28(20(18)29)15-11-9-14(24)10-12-15/h5-12H,4H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,32,16,2,11,12,10,13,27,29,26,30,20,28,25,9,14,19,6,23,4,18,7,31,21,8,3,22,24,5,15,17/E:(9,10)(11,12)/rA:32nCCNCOCCNCCCCCCSCSCCCNNCOCCCCCCClC/rB:s1;s2;s3;d4;s4;w6;s7;s8;s9;d10;s11;d12;d9s13;s7s14;s8;s6;s3s17;w18;s19;d20;s21;s19s22;d23;s22;s25;d26;s27;d28;d25s29;s28;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₉ClN₄O₂S₂
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	14.0435
Area:	661.082
Solvation:	-2.4835
Coulombic:	-41.7526

Bond Count [?]

All:	36
Single:	25
Double:	11
Rotors:	2
Chiral:	2
Rigid Segments:	3

Chemical Properties

Molecular Weight:	483.007
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	5.12
LogP (Chemaxon):	6.42

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