Chemical ID: 3951085

c1ccc(cc1)CNC(=O)CN2c3ccccc3OCC2=O
Chemical ID:
3951085
Name [?]:
N-benzyl-2-(9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-acetamide
SMILES [?]:
c1ccc(cc1)CNC(=O)CN2c3ccccc3OCC2=O
InChi [?]:
InChI=1/C17H16N2O3/c20-16(18-10-13-6-2-1-3-7-13)11-19-14-8-4-5-9-15(14)22-12-17(19)21/h1-9H,10-12H2,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,16,3,5,14,17,7,11,20,4,13,18,9,21,8,12,10,22,19/E:(2,3)(6,7)/rA:22nCCCCCCCNCOCNCCCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s12s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.55305
Area:494.077
Solvation:-3.79887
Coulombic:-47.4064
Bond Count [?]
All:24
Single:16
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:296.321
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.68
LogP (Chemaxon):1.3

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Descriptor Annotations

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