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Chemical ID: 6283889

Chemical ID:

6283889

Name [?]:

2-chloro-N-(3-ethyl-6-methyl-benzothiazol-2-ylidene)-benzamide

SMILES [?]:

CCn1c2ccc(cc2sc1=NC(=O)c3ccccc3Cl)C

InChi [?]:

InChI=1/C17H15ClN2OS/c1-3-20-14-9-8-11(2)10-15(14)22-17(20)19-16(21)12-6-4-5-7-13(12)18/h4-10H,3H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,22,2,17,18,16,19,6,5,8,7,15,20,4,9,13,11,21,12,3,14,10/rA:22nCCNCCCCCCSCNCOCCCCCCClC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₅ClN₂OS
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	10.5986
Area:	489.676
Solvation:	-1.64334
Coulombic:	-26.1521

Bond Count [?]

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

Chemical Properties

Molecular Weight:	330.833
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	5.33
LogP (Chemaxon):	5.95

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