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Chemical ID: 4703117

Chemical ID:

4703117

Name [?]:

N-(2,5-dioxo-7,8-dihydro-6H-chromen-3-yl)-4-methoxy-benzamide

SMILES [?]:

COc1ccc(cc1)C(=O)Nc2cc3c(oc2=O)CCCC3=O

InChi [?]:

InChI=1/C17H15NO5/c1-22-11-7-5-10(6-8-11)16(20)18-13-9-12-14(19)3-2-4-15(12)23-17(13)21/h5-9H,2-4H2,1H3,(H,18,20)

InChi Info:

AuxInfo=1/1/N:1,20,21,19,5,7,4,8,13,6,3,14,12,22,15,9,17,11,23,10,18,2,16/E:(5,6)(7,8)/rA:23nCOCCCCCCCONCCCCOCOCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;d12;s13;d14;s15;s12s16;d17;s15;s19;s20;s14s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₅NO₅
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	7.6071
Area:	500.131
Solvation:	-4.89616
Coulombic:	-54.3761

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	313.305
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	1.86
LogP (Chemaxon):	2.34

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value