ChemDB: Chemical Search
Download
Chemical ID: 7098736
Chemical ID:
7098736
Name [?]:
N-(2-benzyl-3-oxo-5-oxa-2-azabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2ccc3c(c2)OCC(=O)N3Cc4ccccc4
InChi [?]:
InChI=1/C23H20N2O3/c1-16-7-9-18(10-8-16)23(27)24-19-11-12-20-21(13-19)28-15-22(26)25(20)14-17-5-3-2-4-6-17/h2-13H,14-15H2,1H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,26,25,27,24,28,3,7,4,6,12,13,16,22,18,2,23,5,11,14,15,19,8,10,21,20,9,17/E:(3,4)(5,6)(7,8)(9,10)/rA:28nCCCCCCCCONCCCCCCOCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;s17;s18;d19;s14s19;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20N2O3 |
All Atoms: | 48 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9408 |
Area: | 585.824 |
Solvation: | -3.70484 |
Coulombic: | -48.4149 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 372.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.91 |
LogP (Chemaxon): | 3.9 |
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 |
---|