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Chemical ID: 6218375

Chemical ID:

6218375

Name [?]:

4-dimethylamino-N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)benzamide

SMILES [?]:

CN(C)c1ccc(cc1)C(=O)Nc2nc3c(s2)CCCC3

InChi [?]:

InChI=1/C16H19N3OS/c1-19(2)12-9-7-11(8-10-12)15(20)18-16-17-13-5-3-4-6-14(13)21-16/h7-10H,3-6H2,1-2H3,(H,17,18,20)

InChi Info:

AuxInfo=1/1/N:1,3,20,19,21,18,6,8,5,9,7,4,15,16,10,13,14,12,2,11,17/E:(1,2)(7,8)(9,10)/rA:21nCNCCCCCCCCONCNCCSCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;d13;s14;d15;s13s16;s16;s18;s19;s15s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₉N₃OS
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	9.75277
Area:	504.42
Solvation:	-2.85773
Coulombic:	-32.9545

Bond Count [?]

All:	23
Single:	17
Double:	6
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	301.408
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	2.34
LogP (Chemaxon):	3.39

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

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Chemical Mix	Source	External ID	Descriptor	Value