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Chemical ID: 5400777

c1cc(ccc1c2nnc(o2)SCC(=O)Nc3nc(cs3)c4ccc(cc4)Cl)F

Chemical ID:

5400777

Name [?]:

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

SMILES [?]:

c1cc(ccc1c2nnc(o2)SCC(=O)Nc3nc(cs3)c4ccc(cc4)Cl)F

InChi [?]:

InChI=1/C19H12ClFN4O2S2/c20-13-5-1-11(2-6-13)15-9-28-18(22-15)23-16(26)10-29-19-25-24-17(27-19)12-3-7-14(21)8-4-12/h1-9H,10H2,(H,22,23,26)

InChi Info:

AuxInfo=1/1/N:23,27,1,5,24,26,2,4,20,13,22,6,25,3,19,14,7,17,10,28,29,18,16,8,9,15,11,21,12/E:(1,2)(3,4)(5,6)(7,8)/rA:29nCCCCCCCNNCOSCCONCNCCSCCCCCCClF/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s10;s12;s13;d14;s14;s16;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;s25;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₂ClFN₄O₂S₂
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	12.4451
Area:	667.576
Solvation:	-4.24426
Coulombic:	-46.0575

Bond Count [?]

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

Chemical Properties

Molecular Weight:	446.907
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.74
LogP (Chemaxon):	5.23

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

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

Chemical Mix	Source	External ID	Descriptor	Value