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Chemical ID: 6908668

c1ccc(cc1)CCNC(=O)COc2c(=O)c3ccccc3oc2c4ccco4

Chemical ID:

6908668

Name [?]:

2-[2-(2-furyl)-4-oxo-chromen-3-yl]oxy-N-phenethyl-acetamide

SMILES [?]:

c1ccc(cc1)CCNC(=O)COc2c(=O)c3ccccc3oc2c4ccco4

InChi [?]:

InChI=1/C23H19NO5/c25-20(24-13-12-16-7-2-1-3-8-16)15-28-23-21(26)17-9-4-5-10-18(17)29-22(23)19-11-6-14-27-19/h1-11,14H,12-13,15H2,(H,24,25)

InChi Info:

AuxInfo=1/1/N:1,2,6,19,20,27,3,5,18,21,26,7,8,28,12,4,17,22,25,10,15,24,14,9,11,16,29,13,23/E:(2,3)(7,8)/rA:29nCCCCCCCCNCOCOCCOCCCCCCOCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₉NO₅
All Atoms:	48
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	9.45214
Area:	620.081
Solvation:	-6.04989
Coulombic:	-54.7206

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	389.401
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.61
LogP (Chemaxon):	3.27

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