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Chemical ID: 5391061

c1cc(cc(c1)F)c2nnc(o2)SCC(=O)Nc3nc(cs3)c4ccc(cc4)Cl

Chemical ID:

5391061

Name [?]:

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

SMILES [?]:

c1cc(cc(c1)F)c2nnc(o2)SCC(=O)Nc3nc(cs3)c4ccc(cc4)Cl

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,2,6,24,28,25,27,4,21,14,23,3,26,5,20,15,8,18,11,29,7,19,17,9,10,16,12,22,13/E:(4,5)(6,7)/rA:29nCCCCCCFCNNCOSCCONCNCCSCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s9;d10;s8s11;s11;s13;s14;d15;s15;s17;d18;s19;d20;s18s21;s20;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	12.4352
Area:	667.55
Solvation:	-4.25358
Coulombic:	-45.9621

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

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