N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-chlorobenzamide
Chemical Structure Depiction of
N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-chlorobenzamide
N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-chlorobenzamide
Compound characteristics
Compound ID: | D519-0235 |
Compound Name: | N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-chlorobenzamide |
Molecular Weight: | 358.82 |
Molecular Formula: | C19 H19 Cl N2 O3 |
Smiles: | [H]N(C(c1cccc(c1)[Cl])=O)c1ccc2c(c1)N(CCCC)C(CO2)=O |
Stereo: | ACHIRAL |
logP: | 3.9379 |
logD: | 3.9045 |
logSw: | -4.3144 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.409 |
InChI Key: | NFOVPOZZNAJYMN-UHFFFAOYSA-N |