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Chemical ID: 6879602

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)Cl)OCC(=O)Nc4ccccc4C(=O)OC

Chemical ID:

6879602

Name [?]:

methyl 2-[2-[2-(4-chlorophenyl)-6-methyl-4-oxo-chromen-3-yl]oxyacetyl]aminobenzoate

SMILES [?]:

Cc1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)Cl)OCC(=O)Nc4ccccc4C(=O)OC

InChi [?]:

InChI=1/C26H20ClNO6/c1-15-7-12-21-19(13-15)23(30)25(24(34-21)16-8-10-17(27)11-9-16)33-14-22(29)28-20-6-4-3-5-18(20)26(31)32-2/h3-13H,14H2,1-2H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,34,28,27,29,26,3,14,18,15,17,4,7,21,2,13,16,30,6,25,5,22,8,11,10,31,19,24,23,9,32,33,20,12/E:(8,9)(10,11)/rA:34nCCCCCCCCOCCOCCCCCCClOCCONCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s16;s10;s20;s21;d22;s22;s24;s25;d26;s27;d28;d25s29;s30;d31;s31;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₀ClNO₆
All Atoms:	54
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	12.4116
Area:	707.477
Solvation:	-5.27528
Coulombic:	-67.977

Bond Count [?]

All:	37
Single:	24
Double:	13
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	477.893
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	6.03
LogP (Chemaxon):	5.63

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value