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Chemical ID: 6896587

c1ccc(cc1)CNC(=O)COc2c(=O)c3ccccc3oc2c4ccccc4

Chemical ID:

6896587

Name [?]:

N-benzyl-2-(4-oxo-2-phenyl-chromen-3-yl)oxy-acetamide

SMILES [?]:

c1ccc(cc1)CNC(=O)COc2c(=O)c3ccccc3oc2c4ccccc4

InChi [?]:

InChI=1/C24H19NO4/c26-21(25-15-17-9-3-1-4-10-17)16-28-24-22(27)19-13-7-8-14-20(19)29-23(24)18-11-5-2-6-12-18/h1-14H,15-16H2,(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,27,2,6,26,28,18,19,3,5,25,29,17,20,7,11,4,24,16,21,9,14,23,13,8,10,15,12,22/E:(3,4)(5,6)(9,10)(11,12)/rA:29nCCCCCCCNCOCOCCOCCCCCCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₉NO₄
All Atoms:	48
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	10.6471
Area:	612.5
Solvation:	-4.66537
Coulombic:	-50.007

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	385.412
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.75
LogP (Chemaxon):	4.07

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