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Chemical ID: 6272483

CCOCCn1c2ccc(cc2sc1=NC(=O)c3coc4ccccc4c3=O)Cl

Chemical ID:

6272483

Name [?]:

N-[6-chloro-3-(2-ethoxyethyl)benzothiazol-2-ylidene]-4-oxo-chromene-3-carboxamide

SMILES [?]:

CCOCCn1c2ccc(cc2sc1=NC(=O)c3coc4ccccc4c3=O)Cl

InChi [?]:

InChI=1/C21H17ClN2O4S/c1-2-27-10-9-24-16-8-7-13(22)11-18(16)29-21(24)23-20(26)15-12-28-17-6-4-3-5-14(17)19(15)25/h3-8,11-12H,2,9-10H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,24,23,25,22,9,8,5,4,11,19,10,26,18,7,21,12,27,16,14,29,15,6,28,17,3,20,13/rA:29nCCOCCNCCCCCCSCNCOCCOCCCCCCCOCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s6s13;w14;s15;d16;s16;d18;s19;s20;s21;d22;s23;d24;d21s25;s18s26;d27;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₇ClN₂O₄S
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	10.5944
Area:	609.533
Solvation:	-4.64391
Coulombic:	-47.1574

Bond Count [?]

All:	32
Single:	22
Double:	10
Rotors:	6
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	428.889
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.28
LogP (Chemaxon):	5.44

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