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Chemical ID: 6590137

Chemical ID:

6590137

Name [?]:

2-(4-fluorophenyl)amino-N-(6-methylbenzothiazol-2-yl)-acetamide

SMILES [?]:

Cc1ccc2c(c1)sc(n2)NC(=O)CNc3ccc(cc3)F

InChi [?]:

InChI=1/C16H14FN3OS/c1-10-2-7-13-14(8-10)22-16(19-13)20-15(21)9-18-12-5-3-11(17)4-6-12/h2-8,18H,9H2,1H3,(H,19,20,21)

InChi Info:

AuxInfo=1/1/N:1,3,18,20,17,21,4,7,14,2,19,16,5,6,12,9,22,15,10,11,13,8/E:(3,4)(5,6)/rA:22nCCCCCCCSCNNCOCNCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5d9;s9;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₄FN₃OS
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	8.75076
Area:	512.569
Solvation:	-4.06346
Coulombic:	-41.9161

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	315.366
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	2.91
LogP (Chemaxon):	4.34

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value