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Chemical ID: 6945239

Chemical ID:

6945239

Name [?]:

N-(6-butylbenzothiazol-2-yl)-2-methyl-benzamide

SMILES [?]:

CCCCc1ccc2c(c1)sc(n2)NC(=O)c3ccccc3C

InChi [?]:

InChI=1/C19H20N2OS/c1-3-4-8-14-10-11-16-17(12-14)23-19(20-16)21-18(22)15-9-6-5-7-13(15)2/h5-7,9-12H,3-4,8H2,1-2H3,(H,20,21,22)

InChi Info:

AuxInfo=1/1/N:1,23,2,3,20,19,21,4,18,6,7,10,22,5,17,8,9,15,12,13,14,16,11/rA:23nCCCCCCCCCCSCNNCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;s8d12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₀N₂OS
All Atoms:	43
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	11.5746
Area:	551.578
Solvation:	-2.21488
Coulombic:	-29.9878

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	324.441
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	5.38
LogP (Chemaxon):	6.26

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