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Chemical ID: 6215980

Chemical ID:

6215980

Name [?]:

N-(6-ethoxybenzothiazol-2-yl)-4-fluoro-benzamide

SMILES [?]:

CCOc1ccc2c(c1)sc(n2)NC(=O)c3ccc(cc3)F

InChi [?]:

InChI=1/C16H13FN2O2S/c1-2-21-12-7-8-13-14(9-12)22-16(18-13)19-15(20)10-3-5-11(17)6-4-10/h3-9H,2H2,1H3,(H,18,19,20)

InChi Info:

AuxInfo=1/1/N:1,2,17,21,18,20,5,6,9,16,19,4,7,8,14,11,22,12,13,15,3,10/E:(3,4)(5,6)/rA:22nCCOCCCCCCSCNNCOCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s7d11;s11;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₃FN₂O₂S
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	8.24554
Area:	509.672
Solvation:	-4.49625
Coulombic:	-38.028

Bond Count [?]

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

Chemical Properties

Molecular Weight:	316.351
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.4
LogP (Chemaxon):	4.37

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