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Chemical ID: 5504897

c1ccc(cc1)C(CC(=O)Nc2ncc(s2)Cc3cc(ccc3Cl)Cl)c4ccc(cc4)F

Chemical ID:

5504897

Name [?]:

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

SMILES [?]:

c1ccc(cc1)C(CC(=O)Nc2ncc(s2)Cc3cc(ccc3Cl)Cl)c4ccc(cc4)F

InChi [?]:

InChI=1/C25H19Cl2FN2OS/c26-19-8-11-23(27)18(12-19)13-21-15-29-25(32-21)30-24(31)14-22(16-4-2-1-3-5-16)17-6-9-20(28)10-7-17/h1-12,15,22H,13-14H2,(H,29,30,31)

InChi Info:

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

Chemical Details

Atom Count

Formula:	C₂₅H₁₉Cl₂FN₂OS
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	12.6563
Area:	698.487
Solvation:	-4.80583
Coulombic:	-32.0155

Bond Count [?]

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

Chemical Properties

Molecular Weight:	485.401
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.82
LogP (Chemaxon):	7.28

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value