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Chemical ID: 6283418

Cn1c2c(cccc2Cl)sc1=NC(=O)c3cc(nc4c3cccc4)c5ccccc5

Chemical ID:

6283418

Name [?]:

N-(4-chloro-3-methyl-benzothiazol-2-ylidene)-2-phenyl-quinoline-4-carboxamide

SMILES [?]:

Cn1c2c(cccc2Cl)sc1=NC(=O)c3cc(nc4c3cccc4)c5ccccc5

InChi [?]:

InChI=1/C24H16ClN3OS/c1-28-22-18(25)11-7-13-21(22)30-24(28)27-23(29)17-14-20(15-8-3-2-4-9-15)26-19-12-6-5-10-16(17)19/h2-14H,1H3

InChi Info:

AuxInfo=1/0/N:1,28,27,29,22,23,6,26,30,21,7,24,5,16,25,20,15,8,19,17,4,3,13,11,9,18,12,2,14,10/E:(3,4)(8,9)/rA:30nCNCCCCCCClSCNCOCCCNCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s4;s2s10;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d21;s22;s19d23;s17;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₆ClN₃OS
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	13.2909
Area:	612.501
Solvation:	-2.02167
Coulombic:	-33.5071

Bond Count [?]

All:	34
Single:	21
Double:	13
Rotors:	3
Chiral:	1
Rigid Segments:	4

Chemical Properties

Molecular Weight:	429.922
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	6.6
LogP (Chemaxon):	7.31

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value