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Chemical ID: 5500089

c1ccc(cc1)c2nnc(o2)SCC(=O)Nc3nc(cs3)c4ccc(c(c4)F)F

Chemical ID:

5500089

Name [?]:

N-[4-(3,4-difluorophenyl)thiazol-2-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

SMILES [?]:

c1ccc(cc1)c2nnc(o2)SCC(=O)Nc3nc(cs3)c4ccc(c(c4)F)F

InChi [?]:

InChI=1/C19H12F2N4O2S2/c20-13-7-6-12(8-14(13)21)15-9-28-18(22-15)23-16(26)10-29-19-25-24-17(27-19)11-4-2-1-3-5-11/h1-9H,10H2,(H,22,23,26)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,23,24,27,20,13,4,22,25,26,19,14,7,17,10,29,28,18,16,8,9,15,11,21,12/E:(2,3)(4,5)/rA:29nCCCCCCCNNCOSCCONCNCCSCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;s12;s13;d14;s14;s16;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₂F₂N₄O₂S₂
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	10.8738
Area:	639.172
Solvation:	-5.10548
Coulombic:	-49.2691

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	430.453
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.28
LogP (Chemaxon):	4.85

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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