Chemical ID: 3951087

Cc1ccc(cc1)NC(=O)CN2c3ccccc3OCC2=O
Chemical ID:
3951087
Name [?]:
2-(9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-N-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)CN2c3ccccc3OCC2=O
InChi [?]:
InChI=1/C17H16N2O3/c1-12-6-8-13(9-7-12)18-16(20)10-19-14-4-2-3-5-15(14)22-11-17(19)21/h2-9H,10-11H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,15,16,14,17,3,7,4,6,11,20,2,5,13,18,9,21,8,12,10,22,19/E:(6,7)(8,9)/rA:22nCCCCCCCNCOCNCCCCCCOCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;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:8.16541
Area:482.583
Solvation:-3.89917
Coulombic:-45.8163
Bond Count [?]
All:24
Single:16
Double:8
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:296.321
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.97
LogP (Chemaxon):2.15

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue