ChemDB: Chemical Search
Download
Chemical ID: 3951282
Chemical ID:
3951282
Name [?]:
N-cyclopropyl-2-(8-methyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-acetamide
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)NC3CC3
InChi [?]:
InChI=1/C14H16N2O3/c1-9-2-5-12-11(6-9)16(14(18)8-19-12)7-13(17)15-10-3-4-10/h2,5-6,10H,3-4,7-8H2,1H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,3,18,19,4,7,13,11,2,17,6,5,14,9,16,8,15,10,12/E:(3,4)/rA:19nCCCCCCCNCOCOCCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;d14;s14;s16;s17;s17s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N2O3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.04583 |
Area: | 448.205 |
Solvation: | -4.15929 |
Coulombic: | -44.5849 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 260.289 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.95 |
LogP (Chemaxon): | 0.39 |
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 |
---|