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Chemical ID: 5973251

Chemical ID:

5973251

Name [?]:

N-(2-methoxyethyl)-4-[(9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)methyl]benzamide

SMILES [?]:

COCCNC(=O)c1ccc(cc1)CN2c3ccccc3OCC2=O

InChi [?]:

InChI=1/C19H20N2O4/c1-24-11-10-20-19(23)15-8-6-14(7-9-15)12-21-16-4-2-3-5-17(16)25-13-18(21)22/h2-9H,10-13H2,1H3,(H,20,23)

InChi Info:

AuxInfo=1/1/N:1,18,19,17,20,10,12,9,13,4,3,14,23,11,8,16,21,24,6,5,15,25,7,2,22/E:(6,7)(8,9)/rA:25nCOCCNCOCCCCCCCNCCCCCCOCCO/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;s15;s16;d17;s18;d19;d16s20;s21;s22;s15s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₀N₂O₄
All Atoms:	25
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	8.71156
Area:	555.321
Solvation:	-5.17147
Coulombic:	-55.4737

Bond Count [?]

All:	27
Single:	19
Double:	8
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	340.373
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	1.72
LogP (Chemaxon):	1.11

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