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Chemical ID: 6283387

Chemical ID:

6283387

Name [?]:

N-(4-chloro-3-methyl-benzothiazol-2-ylidene)-3-methoxy-benzamide

SMILES [?]:

Cn1c2c(cccc2Cl)sc1=NC(=O)c3cccc(c3)OC

InChi [?]:

InChI=1/C16H13ClN2O2S/c1-19-14-12(17)7-4-8-13(14)22-16(19)18-15(20)10-5-3-6-11(9-10)21-2/h3-9H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,22,17,6,16,18,7,5,20,15,19,8,4,3,13,11,9,12,2,14,21,10/rA:22nCNCCCCCCClSCNCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s4;s2s10;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₃ClN₂O₂S
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	9.66094
Area:	500.132
Solvation:	-2.84236
Coulombic:	-33.0175

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	3
Chiral:	1
Rigid Segments:	4

Chemical Properties

Molecular Weight:	332.805
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.38
LogP (Chemaxon):	4.89

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