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Chemical ID: 6856005

Cc1ccc(cc1)c2c(c(=O)c3ccc(cc3o2)C)OCC(=O)NCc4ccco4

Chemical ID:

6856005

Name [?]:

N-(2-furylmethyl)-2-[7-methyl-4-oxo-2-(p-tolyl)chromen-3-yl]oxy-acetamide

SMILES [?]:

Cc1ccc(cc1)c2c(c(=O)c3ccc(cc3o2)C)OCC(=O)NCc4ccco4

InChi [?]:

InChI=1/C24H21NO5/c1-15-5-8-17(9-6-15)23-24(22(27)19-10-7-16(2)12-20(19)30-23)29-14-21(26)25-13-18-4-3-11-28-18/h3-12H,13-14H2,1-2H3,(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,19,28,27,3,7,14,4,6,13,29,16,25,21,2,15,5,26,12,17,22,10,8,9,24,23,11,30,20,18/E:(5,6)(8,9)/rA:30nCCCCCCCCCCOCCCCCCOCOCCONCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s10;s12;d13;s14;d15;d12s16;s8s17;s15;s9;s20;s21;d22;s22;s24;s25;d26;s27;d28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₁NO₅
All Atoms:	51
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2674
Area:	639.326
Solvation:	-5.71577
Coulombic:	-54.2194

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	403.427
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.32
LogP (Chemaxon):	3.95

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