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Chemical ID: 6042790

Chemical ID:

6042790

Name [?]:

N-ethoxy-5-[(3-methyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)methyl]furan-2-carboxamide

SMILES [?]:

CCONC(=O)c1ccc(o1)CN2c3cc(ccc3OCC2=O)C

InChi [?]:

InChI=1/C17H18N2O5/c1-3-23-18-17(21)15-7-5-12(24-15)9-19-13-8-11(2)4-6-14(13)22-10-16(19)20/h4-8H,3,9-10H2,1-2H3,(H,18,21)

InChi Info:

AuxInfo=1/1/N:1,24,2,17,9,18,8,15,12,21,16,10,14,19,7,22,5,4,13,23,6,20,3,11/rA:24nCCONCOCCCCOCNCCCCCCOCCOC/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s7s10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s20;s13s21;d22;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₈N₂O₅
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	7.55319
Area:	534.598
Solvation:	-5.81177
Coulombic:	-53.0119

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	330.335
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	1.64
LogP (Chemaxon):	1.07

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

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Chemical Mix	Source	External ID	Descriptor	Value