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Chemical ID: 6275290

CCOc1ccc2c(c1)sc(=NC(=O)c3cc4ccccc4oc3=O)n2CC=C

Chemical ID:

6275290

Name [?]:

N-(3-allyl-6-ethoxy-benzothiazol-2-ylidene)-2-oxo-chromene-3-carboxamide

SMILES [?]:

CCOc1ccc2c(c1)sc(=NC(=O)c3cc4ccccc4oc3=O)n2CC=C

InChi [?]:

InChI=1/C22H18N2O4S/c1-3-11-24-17-10-9-15(27-4-2)13-19(17)29-22(24)23-20(25)16-12-14-7-5-6-8-18(14)28-21(16)26/h3,5-10,12-13H,1,4,11H2,2H3

InChi Info:

AuxInfo=1/0/N:29,1,28,2,19,20,18,21,5,6,27,16,9,17,4,15,7,22,8,13,24,11,12,26,14,25,3,23,10/rA:29nCCOCCCCCCSCNCOCCCCCCCCOCONCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;w11;s12;d13;s13;d15;s16;s17;d18;s19;d20;d17s21;s22;s15s23;d24;s7s11;s26;s27;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₈N₂O₄S
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	10.6702
Area:	618.708
Solvation:	-4.79756
Coulombic:	-50.7328

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	6
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	406.455
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	4.47
LogP (Chemaxon):	5.52

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