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Chemical ID: 7029091

Cc1ccc(cc1Cl)Cc2cnc(s2)NC(=O)c3ccc(o3)c4ccc(cc4)Cl

Chemical ID:

7029091

Name [?]:

N-[5-[(3-chloro-4-methyl-phenyl)methyl]thiazol-2-yl]-5-(4-chlorophenyl)-furan-2-carboxamide

SMILES [?]:

Cc1ccc(cc1Cl)Cc2cnc(s2)NC(=O)c3ccc(o3)c4ccc(cc4)Cl

InChi [?]:

InChI=1/C22H16Cl2N2O2S/c1-13-2-3-14(11-18(13)24)10-17-12-25-22(29-17)26-21(27)20-9-8-19(28-20)15-4-6-16(23)7-5-15/h2-9,11-12H,10H2,1H3,(H,25,26,27)

InChi Info:

AuxInfo=1/1/N:1,3,4,24,28,25,27,20,19,9,6,11,2,5,23,26,10,7,21,18,16,13,29,8,12,15,17,22,14/E:(4,5)(6,7)/rA:29nCCCCCCCClCCCNCSNCOCCCCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d12;s10s13;s13;s15;d16;s16;d18;s19;d20;s18s21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₆Cl₂N₂O₂S
All Atoms:	45
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	13.8306
Area:	679.626
Solvation:	-3.16004
Coulombic:	-38.5981

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	443.346
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.07
LogP (Chemaxon):	5.94

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