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Chemical ID: 5529968

c1ccc2c(c1)C(c3ccccc3O2)CC(=O)Nc4ncc(s4)Cc5cccc(c5Cl)Cl

Chemical ID:

5529968

Name [?]:

N-[5-[(2,3-dichlorophenyl)methyl]thiazol-2-yl]-2-(9H-xanthen-9-yl)acetamide

SMILES [?]:

c1ccc2c(c1)C(c3ccccc3O2)CC(=O)Nc4ncc(s4)Cc5cccc(c5Cl)Cl

InChi [?]:

InChI=1/C25H18Cl2N2O2S/c26-20-9-5-6-15(24(20)27)12-16-14-28-25(32-16)29-23(30)13-19-17-7-1-3-10-21(17)31-22-11-4-2-8-18(19)22/h1-11,14,19H,12-13H2,(H,28,29,30)

InChi Info:

AuxInfo=1/1/N:1,10,2,11,27,26,6,9,28,3,12,24,15,21,25,22,5,8,7,29,4,13,16,30,19,32,31,20,18,17,14,23/E:(1,2)(3,4)(7,8)(10,11)(17,18)(21,22)/rA:32nCCCCCCCCCCCCCOCCONCNCCSCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;s4s13;s7;s15;d16;s16;s18;d19;s20;d21;s19s22;s22;s24;s25;d26;s27;d28;d25s29;s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₁₈Cl₂N₂O₂S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	11.5538
Area:	661.375
Solvation:	-4.98054
Coulombic:	-34.6699

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	6
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	481.394
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.12
LogP (Chemaxon):	6.52

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