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Chemical ID: 6218376

Chemical ID:

6218376

Name [?]:

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

SMILES [?]:

CC1CCc2c(sc(n2)NC(=O)c3ccc(cc3)N(C)C)C1

InChi [?]:

InChI=1/C17H21N3OS/c1-11-4-9-14-15(10-11)22-17(18-14)19-16(21)12-5-7-13(8-6-12)20(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,18,19,21)

InChi Info:

AuxInfo=1/1/N:1,20,21,3,14,18,15,17,4,22,2,13,16,5,6,11,8,9,10,19,12,7/E:(2,3)(5,6)(7,8)/rA:22cCCCCCCSCNNCOCCCCCCNCCC/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s8;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s19;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₂₁N₃OS
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	10.1864
Area:	521.645
Solvation:	-2.85474
Coulombic:	-33.2244

Bond Count [?]

All:	24
Single:	18
Double:	6
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	315.434
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	2.85
LogP (Chemaxon):	3.72

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