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Chemical ID: 7528945

Chemical ID:

7528945

Name [?]:

N-(6-chlorobenzothiazol-2-yl)-2-propoxy-benzamide

SMILES [?]:

CCCOc1ccccc1C(=O)Nc2nc3ccc(cc3s2)Cl

InChi [?]:

InChI=1/C17H15ClN2O2S/c1-2-9-22-14-6-4-3-5-12(14)16(21)20-17-19-13-8-7-11(18)10-15(13)23-17/h3-8,10H,2,9H2,1H3,(H,19,20,21)

InChi Info:

AuxInfo=1/1/N:1,2,8,7,9,6,18,17,3,20,19,10,16,5,21,11,14,23,15,13,12,4,22/rA:23nCCCOCCCCCCCONCNCCCCCCSCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;d11;s11;s13;d14;s15;s16;d17;s18;d19;d16s20;s14s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₅ClN₂O₂S
All Atoms:	38
Heavy Atoms:	23
Chiral Atoms:	None

ZAP Information [?]

Total:	9.50159
Area:	556.584
Solvation:	-4.41302
Coulombic:	-34.8214

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.22
LogP (Chemaxon):	None

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