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Chemical ID: 6936243

Chemical ID:

6936243

Name [?]:

3-dimethylamino-N-(6-methylbenzothiazol-2-yl)-benzamide

SMILES [?]:

Cc1ccc2c(c1)sc(n2)NC(=O)c3cccc(c3)N(C)C

InChi [?]:

InChI=1/C17H17N3OS/c1-11-7-8-14-15(9-11)22-17(18-14)19-16(21)12-5-4-6-13(10-12)20(2)3/h4-10H,1-3H3,(H,18,19,21)

InChi Info:

AuxInfo=1/1/N:1,21,22,16,15,17,3,4,7,19,2,14,18,5,6,12,9,10,11,20,13,8/E:(2,3)/rA:22nCCCCCCCSCNNCOCCCCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s5d9;s9;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₇N₃OS
All Atoms:	39
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	10.1489
Area:	518.971
Solvation:	-2.82539
Coulombic:	-34.1912

Bond Count [?]

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

Chemical Properties

Molecular Weight:	311.402
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.55
LogP (Chemaxon):	4.87

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