N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxo-2H-1-benzopyran-3-carboxamide
N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | D519-0429 |
| Compound Name: | N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 392.41 |
| Molecular Formula: | C22 H20 N2 O5 |
| Smiles: | [H]N(C(C1=Cc2ccccc2OC1=O)=O)c1ccc2c(c1)N(CCCC)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.132 |
| logD: | 3.051 |
| logSw: | -3.5532 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.331 |
| InChI Key: | SQUHEVHAXINANA-UHFFFAOYSA-N |