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Chemical ID: 6919832

Chemical ID:

6919832

Name [?]:

5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)benzothiazol-6-ol

SMILES [?]:

Cc1c(c2c(c(c1O)C)sc(n2)NC)Cc3cccnc3

InChi [?]:

InChI=1/C16H17N3OS/c1-9-12(7-11-5-4-6-18-8-11)13-15(10(2)14(9)20)21-16(17-3)19-13/h4-6,8,20H,7H2,1-3H3,(H,17,19)

InChi Info:

AuxInfo=1/1/N:1,9,14,18,17,19,15,21,2,6,16,3,4,7,5,11,13,20,12,8,10/rA:21nCCCCCCCOCSCNNCCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s5;s10;s4d11;s11;s13;s3;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₇N₃OS
All Atoms:	38
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	9.16619
Area:	474.904
Solvation:	-2.70641
Coulombic:	-38.7461

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	299.392
H-Bond Donors:	2
H-Bond Acceptors:	2
XLogP:	2.13
LogP (Chemaxon):	4.07

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