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Chemical ID: 6283384

Chemical ID:

6283384

Name [?]:

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

SMILES [?]:

Cn1c2c(cccc2Cl)sc1=NC(=O)c3ccc(cc3)Br

InChi [?]:

InChI=1/C15H10BrClN2OS/c1-19-13-11(17)3-2-4-12(13)21-15(19)18-14(20)9-5-7-10(16)8-6-9/h2-8H,1H3

InChi Info:

AuxInfo=1/0/N:1,6,7,5,16,20,17,19,15,18,8,4,3,13,11,21,9,12,2,14,10/E:(5,6)(7,8)/rA:21nCNCCCCCCClSCNCOCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s4;s2s10;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₀BrClN₂OS
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	10.8678
Area:	493.068
Solvation:	-1.45887
Coulombic:	-26.7581

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	2
Chiral:	1
Rigid Segments:	3

Chemical Properties

Molecular Weight:	381.675
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	5.27
LogP (Chemaxon):	5.93

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