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Chemical ID: 5973011

Chemical ID:

5973011

Name [?]:

N-benzyl-2-(8-methyl-3-oxo-5-oxa-2-azabicyclo[4.4.0]deca-7,9,11-trien-2-yl)-acetamide

SMILES [?]:

Cc1ccc2c(c1)OCC(=O)N2CC(=O)NCc3ccccc3

InChi [?]:

InChI=1/C18H18N2O3/c1-13-7-8-15-16(9-13)23-12-18(22)20(15)11-17(21)19-10-14-5-3-2-4-6-14/h2-9H,10-12H2,1H3,(H,19,21)

InChi Info:

AuxInfo=1/1/N:1,21,20,22,19,23,3,4,7,17,13,9,2,18,5,6,14,10,16,12,15,11,8/E:(3,4)(5,6)/rA:23nCCCCCCCOCCONCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s5s10;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₈N₂O₃
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	9.15385
Area:	516.967
Solvation:	-3.77032
Coulombic:	-47.2169

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	310.347
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	2.11
LogP (Chemaxon):	1.77

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