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Chemical ID: 7028738

Cc1ccc(cc1Cl)Cc2cnc(s2)NC(=O)c3ccc(o3)c4cc(ccc4Cl)Cl

Chemical ID:

7028738

Name [?]:

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

SMILES [?]:

Cc1ccc(cc1Cl)Cc2cnc(s2)NC(=O)c3ccc(o3)c4cc(ccc4Cl)Cl

InChi [?]:

InChI=1/C22H15Cl3N2O2S/c1-12-2-3-13(9-18(12)25)8-15-11-26-22(30-15)27-21(28)20-7-6-19(29-20)16-10-14(23)4-5-17(16)24/h2-7,9-11H,8H2,1H3,(H,26,27,28)

InChi Info:

AuxInfo=1/1/N:1,3,4,26,27,20,19,9,6,24,11,2,5,25,10,23,28,7,21,18,16,13,30,29,8,12,15,17,22,14/rA:30nCCCCCCCClCCCNCSNCOCCCCOCCCCCCClCl/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;s28;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₅Cl₃N₂O₂S
All Atoms:	45
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	14.234
Area:	701.697
Solvation:	-3.30838
Coulombic:	-38.2651

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	477.791
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.69
LogP (Chemaxon):	6.46

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