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Chemical ID: 5508643

c1ccc(cc1)C(CC(=O)Nc2ncc(s2)Cc3cccc(c3Cl)Cl)c4ccc(cc4)Cl

Chemical ID:

5508643

Name [?]:

3-(4-chlorophenyl)-N-[5-[(2,3-dichlorophenyl)methyl]thiazol-2-yl]-3-phenyl-propanamide

SMILES [?]:

c1ccc(cc1)C(CC(=O)Nc2ncc(s2)Cc3cccc(c3Cl)Cl)c4ccc(cc4)Cl

InChi [?]:

InChI=1/C25H19Cl3N2OS/c26-19-11-9-17(10-12-19)21(16-5-2-1-3-6-16)14-23(31)30-25-29-15-20(32-25)13-18-7-4-8-22(27)24(18)28/h1-12,15,21H,13-14H2,(H,29,30,31)

InChi Info:

AuxInfo=1/1/N:1,2,6,20,3,5,19,21,27,31,28,30,17,8,14,4,26,18,29,15,7,22,9,23,12,32,25,24,13,11,10,16/E:(2,3)(5,6)(9,10)(11,12)/rA:32cCCCCCCCCCONCNCCSCCCCCCCClClCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;s18;d19;s20;d21;d18s22;s23;s22;s7;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₁₉Cl₃N₂OS
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	14.0169
Area:	718.329
Solvation:	-3.94132
Coulombic:	-29.3822

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	501.855
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	6.28
LogP (Chemaxon):	7.66

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