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Chemical ID: 6847434

CCOC(=O)c1ccc(cc1)NC(=O)COc2c(=O)c3c(cc(cc3oc2c4ccc(cc4)OC)C)C

Chemical ID:

6847434

Name [?]:

ethyl 4-[2-[2-(4-methoxyphenyl)-5,7-dimethyl-4-oxo-chromen-3-yl]oxyacetyl]aminobenzoate

SMILES [?]:

CCOC(=O)c1ccc(cc1)NC(=O)COc2c(=O)c3c(cc(cc3oc2c4ccc(cc4)OC)C)C

InChi [?]:

InChI=1/C29H27NO7/c1-5-35-29(33)20-6-10-21(11-7-20)30-24(31)16-36-28-26(32)25-18(3)14-17(2)15-23(25)37-27(28)19-8-12-22(34-4)13-9-19/h6-15H,5,16H2,1-4H3,(H,30,31)

InChi Info:

AuxInfo=1/1/N:1,36,37,35,2,7,11,29,33,8,10,30,32,22,24,15,23,21,28,6,9,31,25,13,20,18,27,17,4,12,14,19,5,34,3,16,26/E:(6,7)(8,9)(10,11)(12,13)/rA:37nCCOCOCCCCCCNCOCOCCOCCCCCCOCCCCCCCOCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;d17s26;s27;s28;d29;s30;d31;d28s32;s31;s34;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₇NO₇
All Atoms:	64
Heavy Atoms:	37
Chiral Atoms:	0

ZAP Information [?]

Total:	12.2855
Area:	759.22
Solvation:	-6.69497
Coulombic:	-73.7747

Bond Count [?]

All:	40
Single:	27
Double:	13
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	501.527
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	5.76
LogP (Chemaxon):	5.02

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

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Chemical Mix	Source	External ID	Descriptor	Value