ChemDB: Chemical Search
Download
Chemical ID: 6735771
Chemical ID:
6735771
Name [?]:
N-(2-furylmethyl)-3-(8-methyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-propanamide
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)CCC(=O)NCc3ccco3
InChi [?]:
InChI=1/C17H18N2O4/c1-12-4-5-15-14(9-12)19(17(21)11-23-15)7-6-16(20)18-10-13-3-2-8-22-13/h2-5,8-9H,6-7,10-11H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,21,20,3,4,14,13,22,7,18,11,2,19,6,5,15,9,17,8,16,10,23,12/rA:23nCCCCCCCNCOCOCCCONCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;s14;d15;s15;s17;s18;d19;s20;d21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O4 |
All Atoms: | 41 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.74247 |
Area: | 530.043 |
Solvation: | -4.50862 |
Coulombic: | -51.5705 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 314.336 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.97 |
LogP (Chemaxon): | 0.9 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|