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Chemical ID: 3951085
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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