N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-methylbutanamide
Chemical Structure Depiction of
N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-methylbutanamide
N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-methylbutanamide
Compound characteristics
| Compound ID: | D519-0229 |
| Compound Name: | N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-3-methylbutanamide |
| Molecular Weight: | 304.39 |
| Molecular Formula: | C17 H24 N2 O3 |
| Smiles: | [H]N(C(CC(C)C)=O)c1ccc2c(c1)N(CCCC)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0733 |
| logD: | 3.073 |
| logSw: | -3.3475 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.467 |
| InChI Key: | KQWAUOKNYVYWRY-UHFFFAOYSA-N |